General Information of the Compound
| Compound ID |
CP0562536
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| Compound Name |
(5R,7R,8S,9S,10S,11S,14S)-7,11-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-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 |
C30H50O6
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| Molecular Weight |
506.724
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| Canonical SMILES |
C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@]3(C)[C@@]2(C)CC1
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| InChI |
InChI=1S/C30H50O6/c1-16(13-20(32)25(35)27(4,5)36)17-9-12-29(7)18(17)14-19(31)24-28(6)11-10-22(33)26(2,3)21(28)15-23(34)30(24,29)8/h16,19-21,23-25,31-32,34-36H,9-15H2,1-8H3/t16-,19+,20+,21+,23-,24+,25-,28+,29+,30+/m1/s1
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| InChIKey |
SDRBSSYOASHUNN-VAEVJGACSA-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