General Information of the Compound
| Compound ID |
CP0462586
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| Compound Name |
(R)-3-{4-[1-(4-Cyclohex-1-enylphenyl)-3-(3-methanesulfonyl-4-trifluoromethoxyphenyl)ureidomethyl]benzoylamino}-2-hydroxypropionic acid
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| Structure |
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| Formula |
C32H32F3N3O8S
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| Molecular Weight |
675.682
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| Canonical SMILES |
CS(=O)(=O)c1cc(NC(=O)N(Cc2ccc(cc2)C(=O)NC[C@@H](O)C(O)=O)c2ccc(cc2)C2=CCCCC2)ccc1OC(F)(F)F
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| InChI |
InChI=1S/C32H32F3N3O8S/c1-47(44,45)28-17-24(13-16-27(28)46-32(33,34)35)37-31(43)38(25-14-11-22(12-15-25)21-5-3-2-4-6-21)19-20-7-9-23(10-8-20)29(40)36-18-26(39)30(41)42/h5,7-17,26,39H,2-4,6,18-19H2,1H3,(H,36,40)(H,37,43)(H,41,42)/t26-/m1/s1
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| InChIKey |
MYHQPEVOOWDUDW-AREMUKBSSA-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: PT02242, Gastric inhibitory polypeptide receptor
Protein ID: PT01473, Glucagon receptor