General Information of the Compound
| Compound ID |
CP0483644
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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-benzylformamide
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| Structure |
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| Formula |
C27H38N2O2
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| Molecular Weight |
422.613
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| Canonical SMILES |
CN1[C@@H]2CCC3C4CC[C@H](N(Cc5ccccc5)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
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| InChI |
InChI=1S/C27H38N2O2/c1-26-16-14-25(31)28(3)23(26)11-9-20-21-10-12-24(27(21,2)15-13-22(20)26)29(18-30)17-19-7-5-4-6-8-19/h4-8,18,20-24H,9-17H2,1-3H3/t20?,21?,22?,23-,24+,26-,27+/m1/s1
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| InChIKey |
PIZOWAHAZOYXFC-AHSFVRJSSA-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