General Information of the Compound
| Compound ID |
CP0535040
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| Compound Name |
11-butan-2-yl-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 |
C28H35N7O2
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| Molecular Weight |
501.635
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| Canonical SMILES |
CCC(C)N1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12
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| InChI |
InChI=1S/C28H35N7O2/c1-6-19(2)35-23-10-8-7-9-21(23)27(36)33(4)24-18-29-28(31-26(24)35)30-22-12-11-20(17-25(22)37-5)34-15-13-32(3)14-16-34/h7-12,17-19H,6,13-16H2,1-5H3,(H,29,30,31)
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| InChIKey |
WWDLVMCJDNTBPK-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