General Information of the Compound
| Compound ID |
CP0559026
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| Compound Name |
CHEMBL4086774
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| Formula |
C34H41N7O3
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| Molecular Weight |
595.748
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| Canonical SMILES |
CC(C)[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/C34H41N7O3/c1-7-30(42)38-28-16-26(14-8-21(28)4)37-33-35-18-25-19-41(34(44)40(6)31(25)39-33)29-17-27(15-9-22(29)5)36-32(43)24-12-10-23(11-13-24)20(2)3/h7-9,14-18,20,23-24H,1,10-13,19H2,2-6H3,(H,36,43)(H,38,42)(H,35,37,39)/t23-,24-
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| InChIKey |
BMTSNXMAAOHQMW-RQNOJGIXSA-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