General Information of the Compound
| Compound ID |
CP0231642
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| Compound Name |
(5R,8S,9S,10S,11S,14R)-17-[(2S,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-2,4-dihydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
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| Structure |
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| Formula |
C30H46O6
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| Molecular Weight |
502.692
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| Canonical SMILES |
C[C@](O)(C[C@H](O)[C@H]1OC1(C)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=O
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| InChI |
InChI=1S/C30H46O6/c1-25(2)20-9-12-28(6)23(27(20,5)11-10-21(25)34)17(31)13-16-22(18(32)14-29(16,28)7)30(8,35)15-19(33)24-26(3,4)36-24/h17,19-20,23-24,31,33,35H,9-15H2,1-8H3/t17-,19-,20-,23-,24+,27-,28-,29-,30-/m0/s1
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| InChIKey |
SSNKUHZPKQIDOG-BPUIFRPTSA-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