General Information of the Compound
| Compound ID |
CP0464578
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| Compound Name |
3-cyano-N-[2,8-dichloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-benzamide
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| Structure |
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| Formula |
C26H22Cl2N6O
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| Molecular Weight |
505.409
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc(c2)C#N)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C26H22Cl2N6O/c1-32-9-11-33(12-10-32)25-21-14-19(27)5-7-23(21)34(24-8-6-20(28)15-22(24)30-25)31-26(35)18-4-2-3-17(13-18)16-29/h2-8,13-15H,9-12H2,1H3,(H,31,35)
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| InChIKey |
XARLOJXBQSKXEP-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