General Information of the Compound
| Compound ID |
CP0386783
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| Compound Name |
[(2S)-2-[(3S,5S,9R,10S,13R,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] (E)-but-2-enoate
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| Structure |
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| Formula |
C28H42O4
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| Molecular Weight |
442.64
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| Canonical SMILES |
C\C=C\C(=O)OC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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| InChI |
InChI=1S/C28H42O4/c1-6-7-26(30)31-17-18(2)23-10-11-24-22-9-8-20-16-21(32-19(3)29)12-14-27(20,4)25(22)13-15-28(23,24)5/h6-7,9,18,20-21,23-25H,8,10-17H2,1-5H3/b7-6+/t18-,20+,21+,23-,24+,25+,27+,28-/m1/s1
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| InChIKey |
AORSDVNDRQVZPM-XXGPBDHDSA-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