General Information of the Compound
| Compound ID |
CP0491701
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| Compound Name |
11-cyclobutyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methylpyrimido[4,5-b][1,4]benzodiazepin-6-one
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| Structure |
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| Formula |
C28H33N7O2
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| Molecular Weight |
499.619
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCC3)c2n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C28H33N7O2/c1-32-13-15-34(16-14-32)20-11-12-22(25(17-20)37-3)30-28-29-18-24-26(31-28)35(19-7-6-8-19)23-10-5-4-9-21(23)27(36)33(24)2/h4-5,9-12,17-19H,6-8,13-16H2,1-3H3,(H,29,30,31)
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| InChIKey |
NGSRRJBACKDZHY-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