General Information of the Compound
| Compound ID |
CP0453223
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| Compound Name |
N-[(1S,5aR,9aR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pentan-3-ylformamide
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| Structure |
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| Formula |
C25H42N2O2
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| Molecular Weight |
402.623
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| Canonical SMILES |
CCC(CC)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
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| InChI |
InChI=1S/C25H42N2O2/c1-6-17(7-2)27(16-28)22-11-9-19-18-8-10-21-24(3,15-13-23(29)26(21)5)20(18)12-14-25(19,22)4/h16-22H,6-15H2,1-5H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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| InChIKey |
IPRXHMGTIKEHQX-APZKOQPTSA-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: PT01430, 3-oxo-5-alpha-steroid 4-dehydrogenase 1
Protein ID: PT01489, 3-oxo-5-alpha-steroid 4-dehydrogenase 2