General Information of the Compound
| Compound ID |
CP0422684
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| Compound Name |
(E,5R)-5-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-phenylhex-2-enal
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| Structure |
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| Formula |
C34H46O3
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| Molecular Weight |
502.739
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| Canonical SMILES |
C[C@H](C\C=C(\C=O)c1ccccc1)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/C34H46O3/c1-22(12-13-24(21-35)23-10-8-7-9-11-23)25-14-18-33(5)26(25)20-27(36)30-32(4)17-16-29(37)31(2,3)28(32)15-19-34(30,33)6/h7-11,13,21-22,27-28,30,36H,12,14-20H2,1-6H3/b24-13-/t22-,27+,28+,30+,32+,33+,34+/m1/s1
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| InChIKey |
WDOIXPZMUZZSCH-JOYOQDDWSA-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