General Information of the Compound
| Compound ID |
CP0410211
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| Compound Name |
CHEMBL2036238
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| Formula |
C21H25Cl3N4O4S
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| Molecular Weight |
535.881
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| Canonical SMILES |
NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2
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| InChI |
InChI=1S/C21H25Cl3N4O4S/c22-14-5-15(23)19(16(24)6-14)28-2-1-27(33(28,31)32)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,1-4,7-10H2,(H2,25,30)(H,26,29)/t11?,12?,13?,18-,21-
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| InChIKey |
IOOJBEGGDOHLMT-VFCNAFPZSA-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
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1