General Information of the Compound
| Compound ID |
CP0511192
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| Compound Name |
(4R)-4-[(3R,5S,6S,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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| Structure |
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| Formula |
C26H44O3
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| Molecular Weight |
404.635
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| Canonical SMILES |
CC[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
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| InChI |
InChI=1S/C26H44O3/c1-5-17-14-19-21-8-7-20(16(2)6-9-24(28)29)25(21,3)13-11-22(19)26(4)12-10-18(27)15-23(17)26/h16-23,27H,5-15H2,1-4H3,(H,28,29)/t16-,17+,18-,19+,20-,21+,22+,23+,25-,26-/m1/s1
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| InChIKey |
HSZUVMCPJMHLOH-DFVHWATJSA-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