General Information of the Compound
| Compound ID |
CP0448531
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| Compound Name |
7-{11-[2-(4-Methyl-piperazin-1-yl)-acetyl]-6-oxo-6,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-5-yl}-heptanenitrile
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| Structure |
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| Formula |
C26H32N6O2
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| Molecular Weight |
460.582
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| Canonical SMILES |
CN1CCN(CC(=O)N2c3ccccc3C(=O)N(CCCCCCC#N)c3cccnc23)CC1
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| InChI |
InChI=1S/C26H32N6O2/c1-29-16-18-30(19-17-29)20-24(33)32-22-11-6-5-10-21(22)26(34)31(15-8-4-2-3-7-13-27)23-12-9-14-28-25(23)32/h5-6,9-12,14H,2-4,7-8,15-20H2,1H3
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| InChIKey |
QNBPAVPSCMXZFV-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