General Information of the Compound
| Compound ID |
CP0445177
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| Compound Name |
6-(4-Cyclohexyl-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 |
C23H29N5
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| Molecular Weight |
375.52
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| Canonical SMILES |
Cc1ccc2Nc3ncccc3N=C(N3CCN(CC3)C3CCCCC3)c2c1
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| InChI |
InChI=1S/C23H29N5/c1-17-9-10-20-19(16-17)23(26-21-8-5-11-24-22(21)25-20)28-14-12-27(13-15-28)18-6-3-2-4-7-18/h5,8-11,16,18H,2-4,6-7,12-15H2,1H3,(H,24,25)
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| InChIKey |
LUXHGZRXBPTYEH-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