Sanitize It Yourself
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Substructure Search
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CNC(=O)c1ccc(/C=C/C(=O)Nc2c(C)cc(C)nc2Cl)cc1
Ro5
MCF
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Substructure Search
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COC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(Br)c[nH+]1)C(F)(F)F
Ro5
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Cc1cc(N(C)C)ccc1NC(=O)c1c[nH]c2nccc(Cl)c12
Ro5
PAINS
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Substructure Search
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CSc1ccccc1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1
Ro5
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Substructure Search
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NC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1
Ro5
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Substructure Search
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Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1cccc(Cl)c1C
Ro5
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C=CCNC(=O)Nc1ccc(F)c(NC(=O)OC)c1
Ro5
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Substructure Search
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COc1cccnc1N(C)C(=O)C[C@H](C)Cc1ccc(Cl)cc1
Ro5
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Substructure Search
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CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1
Ro5
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Substructure Search
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O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Br)c1
Ro5
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Substructure Search
Nearest Neighbor Search
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl
PAINS
MCF
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1
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Substructure Search
Nearest Neighbor Search
CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(=O)Nc1ccccc1C
Ro5
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