General Information of the Compound
| Compound ID |
CP0390457
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| Compound Name |
N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C26H23ClF3N5O
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| Molecular Weight |
513.951
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cccc(c2)C(F)(F)F)c2ccccc12
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| InChI |
InChI=1S/C26H23ClF3N5O/c1-33-11-13-34(14-12-33)24-20-7-2-3-8-22(20)35(23-10-9-19(27)16-21(23)31-24)32-25(36)17-5-4-6-18(15-17)26(28,29)30/h2-10,15-16H,11-14H2,1H3,(H,32,36)
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| InChIKey |
SAOAAHJLTCTWAK-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