General Information of the Compound
| Compound ID |
CP0403541
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| Compound Name |
8-Chloro-6-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
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| Structure |
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| Formula |
C23H19ClF3N5
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| Molecular Weight |
457.887
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CC1)C1=Nc2cccnc2Nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C23H19ClF3N5/c24-16-6-7-19-18(14-16)22(30-20-5-2-8-28-21(20)29-19)32-11-9-31(10-12-32)17-4-1-3-15(13-17)23(25,26)27/h1-8,13-14H,9-12H2,(H,28,29)
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| InChIKey |
OHLQKXSLNYKMJS-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