General Information of the Compound
| Compound ID |
CP0426099
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| Compound Name |
(5R,8S,9S,10S,11S,14R)-17-[(2R)-4,4-dimethoxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C28H46O4
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| Molecular Weight |
446.672
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| Canonical SMILES |
COC(C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC
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| InChI |
InChI=1S/C28H46O4/c1-17(15-23(31-7)32-8)18-9-13-27(5)19(18)16-20(29)24-26(4)12-11-22(30)25(2,3)21(26)10-14-28(24,27)6/h17,20-21,23-24,29H,9-16H2,1-8H3/t17-,20+,21+,24+,26+,27+,28+/m1/s1
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| InChIKey |
QEHVAYQQSJAVFD-VAGZOATASA-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