General Information of the Compound
| Compound ID |
CP0651808
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| Compound Name |
(20S,25R)-2beta-methyl-19,26-dinor-1alpha,25-dihydroxyvitamin D3
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| Structure |
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| Formula |
C26H44O3
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| Molecular Weight |
404.635
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| Canonical SMILES |
CC1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)CCC[C@@H](C)O)CC[C@@H]23)C[C@H]1O
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| InChI |
InChI=1S/C26H44O3/c1-17(7-5-8-18(2)27)22-12-13-23-21(9-6-14-26(22,23)4)11-10-20-15-24(28)19(3)25(29)16-20/h10-11,17-19,22-25,27-29H,5-9,12-16H2,1-4H3/b20-10?,21-11+/t17-,18+,19?,22+,23-,24+,25+,26+/m0/s1
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| InChIKey |
JWMNZSVRCJPIDT-KWCDKKTHSA-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