General Information of the Compound
| Compound ID |
CP0898925
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| Compound Name |
N1-(3-(3-Carbamoylphenyl)-1H-indazol-6-yl)-N3-(4-chloro-3-(trifluoromethyl)phenyl)malonamide
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| Structure |
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| Formula |
C24H17ClF3N5O3
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| Molecular Weight |
515.879
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| Canonical SMILES |
NC(=O)c1cccc(-c2n[nH]c3cc(NC(=O)CC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc23)c1
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| InChI |
InChI=1S/C24H17ClF3N5O3/c25-18-7-5-14(9-17(18)24(26,27)28)30-20(34)11-21(35)31-15-4-6-16-19(10-15)32-33-22(16)12-2-1-3-13(8-12)23(29)36/h1-10H,11H2,(H2,29,36)(H,30,34)(H,31,35)(H,32,33)
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| InChIKey |
BCKKSZDVZBXPDQ-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