General Information of the Compound
| Compound ID |
CP0217151
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| Compound Name |
N-[2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-chloro-N-ethylpyridine-3-carboxamide
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| Structure |
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| Formula |
C22H21ClF4N6O3
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| Molecular Weight |
528.894
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| Canonical SMILES |
CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1cccnc1Cl
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| InChI |
InChI=1S/C22H21ClF4N6O3/c1-2-32(20(35)15-4-3-9-29-17(15)23)12-21(36,22(25,26)27)11-30-19(34)16-10-31-33(18(16)28)14-7-5-13(24)6-8-14/h3-10,36H,2,11-12,28H2,1H3,(H,30,34)
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| InChIKey |
VGOQOXOCBIQISP-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