General Information of the Compound
| Compound ID |
CP0466270
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| Compound Name |
2-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonitrile
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| Structure |
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| Formula |
C17H12F3N5O
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| Molecular Weight |
359.311
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| Canonical SMILES |
FC(F)(F)c1cc(n[nH]1)C(=O)N1CCc2[nH]c3ccc(cc3c2C1)C#N
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| InChI |
InChI=1S/C17H12F3N5O/c18-17(19,20)15-6-14(23-24-15)16(26)25-4-3-13-11(8-25)10-5-9(7-21)1-2-12(10)22-13/h1-2,5-6,22H,3-4,8H2,(H,23,24)
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| InChIKey |
SRFPGPUISURNFD-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