General Information of the Compound
| Compound ID |
CP0400132
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| Compound Name |
CHEMBL2012606
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| Formula |
C17H18BrN3O3S
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| Molecular Weight |
424.32
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Br)s1
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| InChI |
InChI=1S/C17H18BrN3O3S/c18-16-20-21-17(25-16)19-15(24)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(22)23/h5-8,10-11H,1-4,9H2,(H,22,23)(H,19,21,24)/t10-,11-
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| InChIKey |
NKPTYQMBWUYYNN-XYPYZODXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound