General Information of the Compound
| Compound ID |
CP0380420
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| Compound Name |
2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-5,8,11-trimethyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one
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| Structure |
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| Formula |
C26H31N7O2
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| Molecular Weight |
473.581
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cc(C)ccc3N(C)c2n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C26H31N7O2/c1-17-6-9-21-19(14-17)25(34)32(4)22-16-27-26(29-24(22)31(21)3)28-20-8-7-18(15-23(20)35-5)33-12-10-30(2)11-13-33/h6-9,14-16H,10-13H2,1-5H3,(H,27,28,29)
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| InChIKey |
NYHLZQOMTUZDHV-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