General Information of the Compound
| Compound ID |
CP0447281
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| Compound Name |
ethyl (3S)-3-benzyl-10-[4-(trifluoromethyl)phenyl]-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3-carboxylate
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| Structure |
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| Formula |
C25H21F3N4O2
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| Molecular Weight |
466.463
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| Canonical SMILES |
CCOC(=O)[C@@]1(Cc2ccccc2)CNc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H21F3N4O2/c1-2-34-23(33)24(12-16-6-4-3-5-7-16)15-30-20-14-29-22-19(13-31-32(22)21(20)24)17-8-10-18(11-9-17)25(26,27)28/h3-11,13-14,30H,2,12,15H2,1H3/t24-/m0/s1
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| InChIKey |
PHRLNUFPRBBYSI-DEOSSOPVSA-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: PT02455, Glucose-dependent insulinotropic receptor
Protein ID: PT02398, Glucose-dependent insulinotropic receptor