General Information of the Compound
| Compound ID |
CP0869516
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| Compound Name |
(E)-1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)urea
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| Structure |
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| Formula |
C22H15ClF3N5O
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| Molecular Weight |
457.843
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| Canonical SMILES |
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
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| InChI |
InChI=1S/C22H15ClF3N5O/c23-18-8-5-14(11-17(18)22(24,25)26)28-21(32)29-15-4-7-16-19(30-31-20(16)12-15)9-6-13-3-1-2-10-27-13/h1-12H,(H,30,31)(H2,28,29,32)/b9-6+
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| InChIKey |
AAYGATNGSAUCPC-RMKNXTFCSA-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