General Information of the Compound
| Compound ID |
CP0542158
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| Compound Name |
(3S,7R,8S,9S,10R,13R,14S,17R)-3-(2-hydroxyethoxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-ol
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| Structure |
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| Formula |
C29H50O3
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| Molecular Weight |
446.716
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| Canonical SMILES |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCCO
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| InChI |
InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)23-9-10-24-27-25(12-14-29(23,24)5)28(4)13-11-22(32-16-15-30)17-21(28)18-26(27)31/h18-20,22-27,30-31H,6-17H2,1-5H3/t20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1
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| InChIKey |
JLZYMXFEKQIYGR-TWOCBBPNSA-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