General Information of the Compound
| Compound ID |
CP0378928
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| Compound Name |
(3R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-3-octyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
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| Structure |
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| Formula |
C27H46O2
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| Molecular Weight |
402.663
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| Canonical SMILES |
CCCCCCCC[C@@]1(O)CC[C@@]2(C)C(CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
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| InChI |
InChI=1S/C27H46O2/c1-4-5-6-7-8-9-15-27(29)18-17-25(2)20(19-27)10-11-21-22-12-13-24(28)26(22,3)16-14-23(21)25/h20-23,29H,4-19H2,1-3H3/t20?,21-,22-,23-,25-,26-,27+/m0/s1
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| InChIKey |
HVVJNCKRHAIERU-GDILPITCSA-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