General Information of the Compound
| Compound ID |
CP0430187
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| Compound Name |
11-{2-[4-(6-Amino-hexyl)-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 |
C24H32N6O2
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| Molecular Weight |
436.56
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| Canonical SMILES |
NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C24H32N6O2/c25-11-5-1-2-6-13-28-14-16-29(17-15-28)18-22(31)30-21-10-4-3-8-19(21)24(32)27-20-9-7-12-26-23(20)30/h3-4,7-10,12H,1-2,5-6,11,13-18,25H2,(H,27,32)
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| InChIKey |
CQNPRDHSFCMGJO-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