General Information of the Compound
| Compound ID |
CP0418432
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| Compound Name |
(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(E,2R)-6-oxohept-4-en-2-yl]-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 |
C29H44O3
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| Molecular Weight |
440.668
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| Canonical SMILES |
C[C@H](C\C=C\C(C)=O)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/C29H44O3/c1-18(9-8-10-19(2)30)20-11-15-28(6)21(20)17-22(31)25-27(5)14-13-24(32)26(3,4)23(27)12-16-29(25,28)7/h8,10,18,22-23,25,31H,9,11-17H2,1-7H3/b10-8+/t18-,22+,23+,25+,27+,28+,29+/m1/s1
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| InChIKey |
FVTATMKLLGHXAR-FVINUGJUSA-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