General Information of the Compound
| Compound ID |
CP0522896
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| Compound Name |
3-phenyl-thiophene-2-carboxylic acid [8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-amide
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| Structure |
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| Formula |
C29H26ClN5OS
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| Molecular Weight |
528.081
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2sccc2-c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C29H26ClN5OS/c1-33-14-16-34(17-15-33)28-23-9-5-6-10-25(23)35(26-12-11-21(30)19-24(26)31-28)32-29(36)27-22(13-18-37-27)20-7-3-2-4-8-20/h2-13,18-19H,14-17H2,1H3,(H,32,36)
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| InChIKey |
VLPMRGUATFBEPH-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