General Information of the Compound
| Compound ID |
CP0100079
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| Compound Name |
CHEMBL4640563
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| Formula |
C23H22ClN3O3S
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| Molecular Weight |
455.967
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| Canonical SMILES |
Cc1cc(Cl)cc(c1O[C@H]1C[C@H](N)C1)-c1ccnc2cc(CN3C(=O)CCC3=O)sc12
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| InChI |
InChI=1S/C23H22ClN3O3S/c1-12-6-13(24)7-18(22(12)30-15-8-14(25)9-15)17-4-5-26-19-10-16(31-23(17)19)11-27-20(28)2-3-21(27)29/h4-7,10,14-15H,2-3,8-9,11,25H2,1H3/t14-,15-
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| InChIKey |
RWJHYKMAOUYNOE-SHTZXODSSA-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