General Information of the Compound
| Compound ID |
CP0392354
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| Compound Name |
(4aS,4bR,10aR,10bS,12aS)-1-ethyl-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 |
C22H31NO3
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| Molecular Weight |
357.494
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| Canonical SMILES |
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/C22H31NO3/c1-4-23-19(24)8-7-18-16-6-5-15-13-14(20(25)26)9-11-21(15,2)17(16)10-12-22(18,23)3/h5,13,16-18H,4,6-12H2,1-3H3,(H,25,26)/t16-,17+,18+,21+,22+/m1/s1
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| InChIKey |
LTFSOCZYZQFAPE-JVFGBDHYSA-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