General Information of the Compound
| Compound ID |
CP0429512
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| Compound Name |
(4aS,4bR,10aR,10bS,12aS)-1-(3-ethoxy-3-oxopropyl)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,9,10,10b,11,12-decahydronaphtho[2,1-f]quinoline-8-carboxylic acid
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| Structure |
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| Formula |
C25H35NO5
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| Molecular Weight |
429.557
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| Canonical SMILES |
CCOC(=O)CCN1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
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| InChI |
InChI=1S/C25H35NO5/c1-4-31-22(28)11-14-26-21(27)8-7-20-18-6-5-17-15-16(23(29)30)9-12-24(17,2)19(18)10-13-25(20,26)3/h5,15,18-20H,4,6-14H2,1-3H3,(H,29,30)/t18-,19+,20+,24+,25+/m1/s1
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| InChIKey |
LSBGQFMOAOUMFB-IHSMYKGESA-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