General Information of the Compound
| Compound ID |
CP0578294
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| Compound Name |
4-[7-(1-cyclopropylpyrazol-3-yl)-3-oxo-1-sulfanylidene-4,5-dihydro-3aH-imidazo[1,5-a]quinolin-2-yl]-2-(trifluoromethyl)benzonitrile
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| Formula |
C25H18F3N5OS
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| Molecular Weight |
493.514
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)N1C(=O)C2CCc3cc(ccc3N2C1=S)-c1ccn(n1)C1CC1
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| InChI |
InChI=1S/C25H18F3N5OS/c26-25(27,28)19-12-18(4-1-16(19)13-29)32-23(34)22-8-3-15-11-14(2-7-21(15)33(22)24(32)35)20-9-10-31(30-20)17-5-6-17/h1-2,4,7,9-12,17,22H,3,5-6,8H2
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| InChIKey |
XQHVKFKUDILNHJ-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