General Information of the Compound
| Compound ID |
CP0496751
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| Compound Name |
(8-Chloro-11H-benzo[e]pyrido[3,2-b][1,4]diazepin-6-yl)-(1-methyl-piperidin-4-yl)-amine
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| Structure |
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| Formula |
C18H20ClN5
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| Molecular Weight |
341.846
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| Canonical SMILES |
CN1CCC(CC1)NC1=Nc2cccnc2Nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C18H20ClN5/c1-24-9-6-13(7-10-24)21-17-14-11-12(19)4-5-15(14)22-18-16(23-17)3-2-8-20-18/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,20,22)(H,21,23)
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| InChIKey |
YYFLIYHRHHWXBK-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