General Information of the Compound
Compound ID |
CP0519800
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Compound Name |
dimethyl (4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-3-oxo-5,6,7,8,9,10,12,12a,14,14a-decahydro-4aH-picene-2,8a-dicarboxylate
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Structure |
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Formula |
C33H48O5
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Molecular Weight |
524.742
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Canonical SMILES |
COC(=O)C1=C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(=O)OC)C(C)(C)C1=O
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InChI |
InChI=1S/C33H48O5/c1-28(2)14-16-33(27(36)38-9)17-15-31(6)21(22(33)19-28)10-11-24-30(5)18-20(26(35)37-8)25(34)29(3,4)23(30)12-13-32(24,31)7/h10,18,22-24H,11-17,19H2,1-9H3/t22-,23-,24+,30-,31+,32+,33-/m0/s1
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InChIKey |
QFOZNLVIELMDMK-FPFQSWSYSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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