General Information of the Compound
| Compound ID |
CP0378103
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| Compound Name |
CHEMBL2036427
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| Formula |
C22H30N4O4S
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| Molecular Weight |
446.573
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| Canonical SMILES |
NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4ccccc4)S1(=O)=O)C(C3)C2
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| InChI |
InChI=1S/C22H30N4O4S/c23-21(28)22-11-15-9-16(12-22)20(17(10-15)13-22)24-19(27)14-25-7-4-8-26(31(25,29)30)18-5-2-1-3-6-18/h1-3,5-6,15-17,20H,4,7-14H2,(H2,23,28)(H,24,27)/t15?,16?,17?,20-,22-
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| InChIKey |
NSYFXAYYJBCHBD-ZZHKZCCTSA-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