General Information of the Compound
| Compound ID |
CP0444184
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| Compound Name |
2-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-(2-fluorophenyl)pyridin-3-yl]methyl-(furan-2-ylmethyl)amino]acetonitrile
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| Structure |
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| Formula |
C27H18F7N3O
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| Molecular Weight |
533.447
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| Canonical SMILES |
Fc1ccccc1-c1ccncc1CN(Cc1ccco1)C(C#N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H18F7N3O/c28-24-6-2-1-5-23(24)22-7-8-36-14-18(22)15-37(16-21-4-3-9-38-21)25(13-35)17-10-19(26(29,30)31)12-20(11-17)27(32,33)34/h1-12,14,25H,15-16H2
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| InChIKey |
QZQXNVZHZCZSCS-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