General Information of the Compound
| Compound ID |
CP0404445
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| Compound Name |
2-((2-methoxy-4-(piperazin-1-yl)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 |
C24H27N7O2
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| Molecular Weight |
445.527
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCNCC1
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| InChI |
InChI=1S/C24H27N7O2/c1-29-19-7-5-4-6-17(19)23(32)30(2)20-15-26-24(28-22(20)29)27-18-9-8-16(14-21(18)33-3)31-12-10-25-11-13-31/h4-9,14-15,25H,10-13H2,1-3H3,(H,26,27,28)
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| InChIKey |
HGHFBVBNHYJNHK-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