General Information of the Compound
| Compound ID |
CP0451369
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| Compound Name |
8-Methyl-6-(4-phenethyl-piperazin-1-yl)-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
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| Structure |
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| Formula |
C25H27N5
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| Molecular Weight |
397.526
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| Canonical SMILES |
Cc1ccc2Nc3ncccc3N=C(N3CCN(CCc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C25H27N5/c1-19-9-10-22-21(18-19)25(28-23-8-5-12-26-24(23)27-22)30-16-14-29(15-17-30)13-11-20-6-3-2-4-7-20/h2-10,12,18H,11,13-17H2,1H3,(H,26,27)
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| InChIKey |
OCMWTQCINJDJDB-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor