General Information of the Compound
| Compound ID |
CP0470491
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| Compound Name |
(8-Methyl-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 |
C19H23N5
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| Molecular Weight |
321.428
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| Canonical SMILES |
CN1CCC(CC1)NC1=Nc2cccnc2Nc2ccc(C)cc12
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| InChI |
InChI=1S/C19H23N5/c1-13-5-6-16-15(12-13)18(21-14-7-10-24(2)11-8-14)23-17-4-3-9-20-19(17)22-16/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H,20,22)(H,21,23)
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| InChIKey |
NKNZUUWFOPEUNZ-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