General Information of the Compound
Compound ID |
CP0391020
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Compound Name |
2-chloro-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-nicotinamide
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Structure |
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Formula |
C24H22Cl2N6O
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Molecular Weight |
481.387
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Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccnc2Cl)c2ccccc12
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InChI |
InChI=1S/C24H22Cl2N6O/c1-30-11-13-31(14-12-30)23-17-5-2-3-7-20(17)32(21-9-8-16(25)15-19(21)28-23)29-24(33)18-6-4-10-27-22(18)26/h2-10,15H,11-14H2,1H3,(H,29,33)
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InChIKey |
CRZNBNPCQMURSC-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor