General Information of the Compound
| Compound ID |
CP0533956
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| Compound Name |
(5R,8S,9S,10S,11S,14R)-17-[(2R,4S,5R)-6-butoxy-4,5-dihydroxy-6-methylheptan-2-yl]-11-hydroxy-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 |
C34H58O5
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| Molecular Weight |
546.833
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| Canonical SMILES |
CCCCOC(C)(C)[C@H](O)[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/C34H58O5/c1-10-11-18-39-31(5,6)29(38)25(36)19-21(2)22-12-16-33(8)23(22)20-24(35)28-32(7)15-14-27(37)30(3,4)26(32)13-17-34(28,33)9/h21,24-26,28-29,35-36,38H,10-20H2,1-9H3/t21-,24+,25+,26+,28+,29-,32+,33+,34+/m1/s1
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| InChIKey |
LTEFMJJBGNWCTJ-LWLDCPMTSA-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