General Information of the Compound
| Compound ID |
CP0380419
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| Compound Name |
11-isopropyl-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-methyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one
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| Structure |
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| Formula |
C27H33N7O2
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| Molecular Weight |
487.608
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C(C)C)c2n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C27H33N7O2/c1-18(2)34-22-9-7-6-8-20(22)26(35)32(4)23-17-28-27(30-25(23)34)29-21-11-10-19(16-24(21)36-5)33-14-12-31(3)13-15-33/h6-11,16-18H,12-15H2,1-5H3,(H,28,29,30)
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| InChIKey |
YYTFTZONXCQXLW-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