General Information of the Compound
| Compound ID |
CP0499686
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| Compound Name |
N-[8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-4-cyanobenzamide
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| Structure |
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| Formula |
C26H23ClN6O
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| Molecular Weight |
470.964
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2ccccc2N(NC(=O)c2ccc(cc2)C#N)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C26H23ClN6O/c1-31-12-14-32(15-13-31)25-21-16-20(27)10-11-23(21)33(24-5-3-2-4-22(24)29-25)30-26(34)19-8-6-18(17-28)7-9-19/h2-11,16H,12-15H2,1H3,(H,30,34)
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| InChIKey |
AUKPHAAWNDZREH-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