General Information of the Compound
| Compound ID |
CP0406168
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| Compound Name |
(4aS,4bR,10aR,10bS,12aS)-1,10a,12a-trimethyl-8-(2H-tetrazol-5-yl)-3,4,4a,4b,5,9,10,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one
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| Structure |
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| Formula |
C21H29N5O
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| Molecular Weight |
367.497
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| Canonical SMILES |
CN1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)c1nnn[nH]1
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| InChI |
InChI=1S/C21H29N5O/c1-20-10-8-13(19-22-24-25-23-19)12-14(20)4-5-15-16(20)9-11-21(2)17(15)6-7-18(27)26(21)3/h4,12,15-17H,5-11H2,1-3H3,(H,22,23,24,25)/t15-,16+,17+,20+,21+/m1/s1
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| InChIKey |
VSQWRSWTFXPDHE-OZMCLOMFSA-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