General Information of the Compound
| Compound ID |
CP0444374
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| Compound Name |
methyl (4aS,6aR,6aS,6bR,8aR,12aR,14bS)-11-(4-cyanophenyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,13,14b-decahydro-1H-picene-4a-carboxylate
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| Structure |
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| Formula |
C38H49NO3
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| Molecular Weight |
567.814
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| Canonical SMILES |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C38H49NO3/c1-33(2)17-19-38(32(41)42-8)20-18-36(6)27(28(38)22-33)13-14-30-35(5)21-26(25-11-9-24(23-39)10-12-25)31(40)34(3,4)29(35)15-16-37(30,36)7/h9-13,21,28-30H,14-20,22H2,1-8H3/t28-,29-,30+,35-,36+,37+,38-/m0/s1
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| InChIKey |
YAEZMIRHJORXGA-RXLVGJJOSA-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