General Information of the Compound
| Compound ID |
CP0502394
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| Compound Name |
N-[3,8-dichloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-methylbenzamide
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| Structure |
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| Formula |
C26H25Cl2N5O
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| Molecular Weight |
494.426
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2C)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C26H25Cl2N5O/c1-17-5-3-4-6-20(17)26(34)30-33-23-9-7-18(27)15-21(23)25(32-13-11-31(2)12-14-32)29-22-16-19(28)8-10-24(22)33/h3-10,15-16H,11-14H2,1-2H3,(H,30,34)
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| InChIKey |
OZNAEJJPKZACTF-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