General Information of the Compound
| Compound ID |
CP0193110
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| Compound Name |
2-[2-(6-Trifluoromethyl-indol-1-yl)-ethyl]-decahydro-pyrido[1,2-a][1,4]diazepine
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| Structure |
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| Formula |
C20H26F3N3
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| Molecular Weight |
365.443
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| Canonical SMILES |
FC(F)(F)c1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
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| InChI |
InChI=1S/C20H26F3N3/c21-20(22,23)17-6-5-16-7-11-26(19(16)14-17)13-12-24-8-3-10-25-9-2-1-4-18(25)15-24/h5-7,11,14,18H,1-4,8-10,12-13,15H2
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| InChIKey |
NQTQBHKGMLJHTR-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