General Information of the Compound
| Compound ID |
CP0422648
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| Compound Name |
(3R)-3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[2-(6-pyrazol-1-ylpyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C30H31N5O3S
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| Molecular Weight |
541.677
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| Canonical SMILES |
OC(=O)C[C@@H](CC1CCCC1)C(=O)N(C1CC1)c1nc(cs1)-c1ccccc1-c1ccc(nc1)-n1cccn1
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| InChI |
InChI=1S/C30H31N5O3S/c36-28(37)17-22(16-20-6-1-2-7-20)29(38)35(23-11-12-23)30-33-26(19-39-30)25-9-4-3-8-24(25)21-10-13-27(31-18-21)34-15-5-14-32-34/h3-5,8-10,13-15,18-20,22-23H,1-2,6-7,11-12,16-17H2,(H,36,37)/t22-/m1/s1
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| InChIKey |
RJTZSTPWVMFXJL-JOCHJYFZSA-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