General Information of the Compound
| Compound ID |
CP0449430
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| Compound Name |
8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepine-5-carboxylic acid (3,5-dichloro-phenyl)-amide
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| Structure |
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| Formula |
C25H22Cl3N5O
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| Molecular Weight |
514.844
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C25H22Cl3N5O/c1-31-8-10-32(11-9-31)24-20-4-2-3-5-22(20)33(23-7-6-16(26)15-21(23)30-24)25(34)29-19-13-17(27)12-18(28)14-19/h2-7,12-15H,8-11H2,1H3,(H,29,34)
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| InChIKey |
XVHMGSVEPAPMBT-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor