General Information of the Compound
| Compound ID |
CP0444268
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| Compound Name |
(3R)-3-[cyclopropyl-[4-[2-(6-pyrazol-1-ylpyridin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-5-methylhexanoic acid
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| Structure |
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| Formula |
C28H29N5O3S
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| Molecular Weight |
515.639
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| Canonical SMILES |
CC(C)C[C@H](CC(O)=O)C(=O)N(C1CC1)c1nc(cs1)-c1ccccc1-c1ccc(nc1)-n1cccn1
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| InChI |
InChI=1S/C28H29N5O3S/c1-18(2)14-20(15-26(34)35)27(36)33(21-9-10-21)28-31-24(17-37-28)23-7-4-3-6-22(23)19-8-11-25(29-16-19)32-13-5-12-30-32/h3-8,11-13,16-18,20-21H,9-10,14-15H2,1-2H3,(H,34,35)/t20-/m1/s1
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| InChIKey |
IXPCRDWXEVHUJM-HXUWFJFHSA-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
Protein ID: PT04096, Free fatty acid receptor 2
Protein ID: PT06211, Free fatty acid receptor 2