General Information of the Compound
| Compound ID |
CP0542964
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| Compound Name |
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(2S,4S)-2,4-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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| Structure |
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| Formula |
C27H44O4
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| Molecular Weight |
432.645
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| Canonical SMILES |
CC(C)C[C@H](O)C[C@](C)(O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
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| InChI |
InChI=1S/C27H44O4/c1-17(2)13-22(29)16-27(5,31)25-11-10-23-19(7-6-12-26(23,25)4)8-9-20-14-21(28)15-24(30)18(20)3/h8-9,17,21-25,28-31H,3,6-7,10-16H2,1-2,4-5H3/b19-8+,20-9-/t21-,22+,23+,24+,25+,26+,27+/m1/s1
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| InChIKey |
ZMDIGTZBNFTKRP-MWPQPVTGSA-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
Protein ID: PT02378, Vitamin D3 receptor