General Information of the Compound
| Compound ID |
CP0453431
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| Compound Name |
11-{2-[4-(8-Amino-octyl)-piperazin-1-yl]-acetyl}-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
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| Structure |
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| Formula |
C26H36N6O2
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| Molecular Weight |
464.614
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| Canonical SMILES |
NCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C26H36N6O2/c27-13-7-3-1-2-4-8-15-30-16-18-31(19-17-30)20-24(33)32-23-12-6-5-10-21(23)26(34)29-22-11-9-14-28-25(22)32/h5-6,9-12,14H,1-4,7-8,13,15-20,27H2,(H,29,34)
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| InChIKey |
NYVAVEOWRZDMQT-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