General Information of the Compound
| Compound ID |
CP0382091
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| Compound Name |
[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-(2-methylphenyl)methanone
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| Structure |
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| Formula |
C26H25ClN4O
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| Molecular Weight |
444.966
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C(=O)c2ccccc2C)c2ccccc12
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| InChI |
InChI=1S/C26H25ClN4O/c1-18-7-3-4-8-20(18)26(32)31-23-10-6-5-9-21(23)25(30-15-13-29(2)14-16-30)28-22-17-19(27)11-12-24(22)31/h3-12,17H,13-16H2,1-2H3
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| InChIKey |
NCXICMCRAZHQIK-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