General Information of the Compound
| Compound ID |
CP0493067
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| Compound Name |
4-[1-cyclopropyl-4-[2-[[2-(2-hydroxypropan-2-yl)pyridin-4-yl]amino]pyridin-4-yl]oxypyrazol-3-yl]benzoic acid
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| Formula |
C26H25N5O4
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| Molecular Weight |
471.517
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| Canonical SMILES |
CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3-c3ccc(cc3)C(O)=O)C3CC3)ccn2)ccn1
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| InChI |
InChI=1S/C26H25N5O4/c1-26(2,34)22-13-18(9-11-27-22)29-23-14-20(10-12-28-23)35-21-15-31(19-7-8-19)30-24(21)16-3-5-17(6-4-16)25(32)33/h3-6,9-15,19,34H,7-8H2,1-2H3,(H,32,33)(H,27,28,29)
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| InChIKey |
YFDRVKMPNWIUTK-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