General Information of the Compound
| Compound ID |
CP0230663
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| Compound Name |
(7Z)-(20S)-1alpha,25-Dihydroxy-2-methylene-8(12),14(17)-diseco-13(17)-dehydro-9,11,15,16,18,19-hexanorvitamin D3
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| Structure |
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| Formula |
C22H36O3
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| Molecular Weight |
348.527
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| Canonical SMILES |
C[C@@H](CCCC(C)(C)O)\C=C(/C)C\C=C/C=C1C[C@@H](O)C(=C)[C@H](O)C1
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| InChI |
InChI=1S/C22H36O3/c1-16(13-17(2)10-8-12-22(4,5)25)9-6-7-11-19-14-20(23)18(3)21(24)15-19/h6-7,11,13,17,20-21,23-25H,3,8-10,12,14-15H2,1-2,4-5H3/b7-6-,16-13+/t17-,20+,21+/m0/s1
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| InChIKey |
GCBOTYIYQPSXPF-FDXUBCHLSA-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