General Information of the Compound
| Compound ID |
CP0473026
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| Compound Name |
2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-4,5,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-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(ccc1Nc1nc(C)c2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C26H31N7O2/c1-17-23-24(31(3)21-9-7-6-8-19(21)25(34)32(23)4)29-26(27-17)28-20-11-10-18(16-22(20)35-5)33-14-12-30(2)13-15-33/h6-11,16H,12-15H2,1-5H3,(H,27,28,29)
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| InChIKey |
OXTSNXXVWGKOMB-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