General Information of the Compound
| Compound ID |
CP0427214
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| Compound Name |
11-{2-[4-(7-Amino-heptyl)-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 |
C25H34N6O2
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| Molecular Weight |
450.587
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| Canonical SMILES |
NCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C25H34N6O2/c26-12-6-2-1-3-7-14-29-15-17-30(18-16-29)19-23(32)31-22-11-5-4-9-20(22)25(33)28-21-10-8-13-27-24(21)31/h4-5,8-11,13H,1-3,6-7,12,14-19,26H2,(H,28,33)
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| InChIKey |
USPZUAUJSPXMKM-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