General Information of the Compound
| Compound ID |
CP0530051
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| Compound Name |
6-(4-Benzyl-piperazin-1-yl)-8-methyl-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
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| Structure |
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| Formula |
C24H25N5
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| Molecular Weight |
383.499
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| Canonical SMILES |
Cc1ccc2Nc3ncccc3N=C(N3CCN(Cc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C24H25N5/c1-18-9-10-21-20(16-18)24(27-22-8-5-11-25-23(22)26-21)29-14-12-28(13-15-29)17-19-6-3-2-4-7-19/h2-11,16H,12-15,17H2,1H3,(H,25,26)
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| InChIKey |
MWNAGOUSOIZQAK-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