General Information of the Compound
| Compound ID |
CP0579788
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| Compound Name |
(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-prop-2-enylnon-8-en-2-yl]-4,4,10,13-tetramethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7-diol;hydrochloride
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| Structure |
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| Formula |
C33H55ClO3
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| Molecular Weight |
535.253
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| Canonical SMILES |
Cl.C[C@H](CCCC(O)(CC=C)CC=C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C33H54O3.ClH/c1-8-16-33(36,17-9-2)18-10-11-22(3)23-12-13-24-29-25(14-19-31(23,24)6)32(7)20-15-28(35)30(4,5)27(32)21-26(29)34;/h8-9,21-26,28-29,34-36H,1-2,10-20H2,3-7H3;1H/t22-,23-,24+,25+,26+,28+,29+,31-,32-;/m1./s1
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| InChIKey |
CCJDHCCTQDBUFE-YJXBVISESA-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