General Information of the Compound
| Compound ID |
CP0439953
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| Compound Name |
(5R,8S,9S,10S,11S,14R)-11-hydroxy-17-[(2R,4S)-4-hydroxy-5-methylhexan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C29H48O3
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| Molecular Weight |
444.7
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| Canonical SMILES |
CC(C)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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| InChI |
InChI=1S/C29H48O3/c1-17(2)21(30)15-18(3)19-9-13-28(7)20(19)16-22(31)25-27(6)12-11-24(32)26(4,5)23(27)10-14-29(25,28)8/h17-18,21-23,25,30-31H,9-16H2,1-8H3/t18-,21+,22+,23+,25+,27+,28+,29+/m1/s1
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| InChIKey |
JMPYOUIHJVSXNC-DLOKVMSCSA-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