General Information of the Compound
| Compound ID |
CP0410348
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| Compound Name |
CHEMBL4086091
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| Formula |
C35H43N7O3
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| Molecular Weight |
609.775
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| Canonical SMILES |
CCCC[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O
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| InChI |
InChI=1S/C35H43N7O3/c1-6-8-9-24-12-14-25(15-13-24)33(44)37-28-17-11-23(4)30(19-28)42-21-26-20-36-34(40-32(26)41(5)35(42)45)38-27-16-10-22(3)29(18-27)39-31(43)7-2/h7,10-11,16-20,24-25H,2,6,8-9,12-15,21H2,1,3-5H3,(H,37,44)(H,39,43)(H,36,38,40)/t24-,25-
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| InChIKey |
OVRPQNZBOGVQNI-SOAUALDESA-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