General Information of the Compound
| Compound ID |
CP0457427
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| Compound Name |
11-{2-[4-(5-Amino-pentyl)-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 |
C23H30N6O2
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| Molecular Weight |
422.533
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| Canonical SMILES |
NCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C23H30N6O2/c24-10-4-1-5-12-27-13-15-28(16-14-27)17-21(30)29-20-9-3-2-7-18(20)23(31)26-19-8-6-11-25-22(19)29/h2-3,6-9,11H,1,4-5,10,12-17,24H2,(H,26,31)
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| InChIKey |
QAYPVPXZGPNAHI-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