General Information of the Compound
| Compound ID |
CP0440198
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| Compound Name |
N-[(1S,5aR,9aR,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]-N-methylformamide
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| Structure |
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| Formula |
C20H30N2O2
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| Molecular Weight |
330.472
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| Canonical SMILES |
CN(C=O)[C@H]1CCC2C3CC[C@H]4NC(=O)C=C[C@]4(C)C3CC[C@]12C
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| InChI |
InChI=1S/C20H30N2O2/c1-19-11-9-18(24)21-16(19)6-4-13-14-5-7-17(22(3)12-23)20(14,2)10-8-15(13)19/h9,11-17H,4-8,10H2,1-3H3,(H,21,24)/t13?,14?,15?,16-,17+,19-,20+/m1/s1
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| InChIKey |
QVHAICGMIITEBD-GWZHURQHSA-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