General Information of the Compound
| Compound ID |
CP0452515
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| Compound Name |
(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-8-(2H-tetrazol-5-yl)-3,4,4a,4b,5,9,10,10b,11,12-decahydro-1H-naphtho[2,1-f]quinolin-2-one
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| Structure |
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| Formula |
C20H27N5O
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| Molecular Weight |
353.47
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C)c3nnn[nH]3)[C@@H]1CCC(=O)N2
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| InChI |
InChI=1S/C20H27N5O/c1-19-9-7-12(18-22-24-25-23-18)11-13(19)3-4-14-15(19)8-10-20(2)16(14)5-6-17(26)21-20/h3,11,14-16H,4-10H2,1-2H3,(H,21,26)(H,22,23,24,25)/t14-,15+,16+,19+,20+/m1/s1
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| InChIKey |
WRAXYRCDSVZVRY-MWTROVGWSA-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