General Information of the Compound
| Compound ID |
CP0409457
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| Compound Name |
11-(2-{4-[10-(2-Methoxy-benzylamino)-decyl]-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 |
C36H48N6O3
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| Molecular Weight |
612.819
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| Canonical SMILES |
COc1ccccc1CNCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C36H48N6O3/c1-45-33-19-11-8-15-29(33)27-37-20-12-6-4-2-3-5-7-13-22-40-23-25-41(26-24-40)28-34(43)42-32-18-10-9-16-30(32)36(44)39-31-17-14-21-38-35(31)42/h8-11,14-19,21,37H,2-7,12-13,20,22-28H2,1H3,(H,39,44)
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| InChIKey |
CYSAQAWEGRPUEE-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