General Information of the Compound
| Compound ID |
CP0464577
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| Compound Name |
N-[3,8-dichloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-5-fluoro-2-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C26H21Cl2F4N5O
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| Molecular Weight |
566.386
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2cc(F)ccc2C(F)(F)F)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C26H21Cl2F4N5O/c1-35-8-10-36(11-9-35)24-19-12-15(27)2-6-22(19)37(23-7-3-16(28)13-21(23)33-24)34-25(38)18-14-17(29)4-5-20(18)26(30,31)32/h2-7,12-14H,8-11H2,1H3,(H,34,38)
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| InChIKey |
YZPSCIVWSOSUOO-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