General Information of the Compound
| Compound ID |
CP0404446
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| Compound Name |
2-((2-methoxy-4-(4-(pyrrolidin-1-yl)piperidine-1-carbonyl)phenyl)amino)-5,11-dimethyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one
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| Structure |
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| Formula |
C30H35N7O3
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| Molecular Weight |
541.656
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCCC1
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| InChI |
InChI=1S/C30H35N7O3/c1-34-24-9-5-4-8-22(24)29(39)35(2)25-19-31-30(33-27(25)34)32-23-11-10-20(18-26(23)40-3)28(38)37-16-12-21(13-17-37)36-14-6-7-15-36/h4-5,8-11,18-19,21H,6-7,12-17H2,1-3H3,(H,31,32,33)
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| InChIKey |
PVPMWNDEOMUSJK-UHFFFAOYSA-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
Protein ID: PT02105, Mitogen-activated protein kinase 7
Cell Viability or Cytotoxicity Assay