General Information of the Compound
| Compound ID |
CP0437473
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| Compound Name |
11-{2-[4-(9-Amino-nonyl)-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 |
C27H38N6O2
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| Molecular Weight |
478.641
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| Canonical SMILES |
NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C27H38N6O2/c28-14-8-4-2-1-3-5-9-16-31-17-19-32(20-18-31)21-25(34)33-24-13-7-6-11-22(24)27(35)30-23-12-10-15-29-26(23)33/h6-7,10-13,15H,1-5,8-9,14,16-21,28H2,(H,30,35)
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| InChIKey |
WJZOQAFZJJZPCF-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