General Information of the Compound
| Compound ID |
CP0456654
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| Compound Name |
3-[[4-[1-[3-(2-methoxypyrimidin-4-yl)-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C31H26F3N5O5
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| Molecular Weight |
605.573
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| Canonical SMILES |
COc1nccc(n1)-c1nn(C(C)c2ccc(cc2)C(=O)NCCC(O)=O)c2cc(ccc12)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C31H26F3N5O5/c1-18(19-3-5-21(6-4-19)29(42)35-16-14-27(40)41)39-26-17-22(20-7-10-23(11-8-20)44-31(32,33)34)9-12-24(26)28(38-39)25-13-15-36-30(37-25)43-2/h3-13,15,17-18H,14,16H2,1-2H3,(H,35,42)(H,40,41)
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| InChIKey |
KRGCJQVFOGAQKA-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