General Information of the Compound
| Compound ID |
CP0377762
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| Compound Name |
(1-Benzyl-piperidin-4-yl)-(8-methyl-11H-benzo[e]pyrido[3,2-b][1,4]diazepin-6-yl)-amine
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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(NC3CCN(Cc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C25H27N5/c1-18-9-10-22-21(16-18)24(29-23-8-5-13-26-25(23)28-22)27-20-11-14-30(15-12-20)17-19-6-3-2-4-7-19/h2-10,13,16,20H,11-12,14-15,17H2,1H3,(H,26,28)(H,27,29)
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| InChIKey |
ZHPMNMWRUKIBHQ-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