General Information of the Compound
| Compound ID |
CP0404447
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| Compound Name |
4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-2-yl)amino)-N-(2-(dimethylamino)ethyl)-3-methoxybenzamide
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| Structure |
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| Formula |
C25H29N7O3
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| Molecular Weight |
475.553
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NCCN(C)C
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| InChI |
InChI=1S/C25H29N7O3/c1-30(2)13-12-26-23(33)16-10-11-18(21(14-16)35-5)28-25-27-15-20-22(29-25)31(3)19-9-7-6-8-17(19)24(34)32(20)4/h6-11,14-15H,12-13H2,1-5H3,(H,26,33)(H,27,28,29)
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| InChIKey |
GIYVCQVJJYRKEE-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