General Information of the Compound
| Compound ID |
CP0487850
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| Compound Name |
N-[1-[3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)oxy-N-(trifluoromethyl)pyrimidin-4-amine
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| Formula |
C21H29F4N7O4S
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| Molecular Weight |
551.567
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| Canonical SMILES |
CC(C)(F)c1noc(n1)N1CCC(CC1)N(c1cc(OC2CCN(CC2)S(C)(=O)=O)ncn1)C(F)(F)F
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| InChI |
InChI=1S/C21H29F4N7O4S/c1-20(2,22)18-28-19(36-29-18)30-8-4-14(5-9-30)32(21(23,24)25)16-12-17(27-13-26-16)35-15-6-10-31(11-7-15)37(3,33)34/h12-15H,4-11H2,1-3H3
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| InChIKey |
NTGWXGVFVHJWLL-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
Protein ID: PT01297, Glucose-dependent insulinotropic receptor
Protein ID: PT02455, Glucose-dependent insulinotropic receptor