General Information of the Compound
| Compound ID |
CP0451660
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| Compound Name |
(1-Benzyl-piperidin-4-yl)-(8-chloro-11H-benzo[e]pyrido[3,2-b][1,4]diazepin-6-yl)-amine
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| Structure |
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| Formula |
C24H24ClN5
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| Molecular Weight |
417.944
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| Canonical SMILES |
Clc1ccc2Nc3ncccc3N=C(NC3CCN(Cc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C24H24ClN5/c25-18-8-9-21-20(15-18)23(29-22-7-4-12-26-24(22)28-21)27-19-10-13-30(14-11-19)16-17-5-2-1-3-6-17/h1-9,12,15,19H,10-11,13-14,16H2,(H,26,28)(H,27,29)
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| InChIKey |
USKVYSVSXWHTPS-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