General Information of the Compound
| Compound ID |
CP0429205
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| Compound Name |
8-Methyl-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 |
C24H22F3N5
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| Molecular Weight |
437.469
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| Canonical SMILES |
Cc1ccc2Nc3ncccc3N=C(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c2c1
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| InChI |
InChI=1S/C24H22F3N5/c1-16-7-8-20-19(14-16)23(30-21-6-3-9-28-22(21)29-20)32-12-10-31(11-13-32)18-5-2-4-17(15-18)24(25,26)27/h2-9,14-15H,10-13H2,1H3,(H,28,29)
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| InChIKey |
PNMWNDDEPPDBHH-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