General Information of the Compound
| Compound ID |
CP0490050
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| Compound Name |
2-[1-[2-[[cyclopropanecarbonyl(cyclopropylmethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C26H26F3N3O3
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| Molecular Weight |
485.506
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| Canonical SMILES |
Cc1ccc2c(CC(O)=O)cn(-c3ccc(cc3CN(CC3CC3)C(=O)C3CC3)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C26H26F3N3O3/c1-15-2-8-21-18(11-23(33)34)14-32(24(21)30-15)22-9-7-20(26(27,28)29)10-19(22)13-31(12-16-3-4-16)25(35)17-5-6-17/h2,7-10,14,16-17H,3-6,11-13H2,1H3,(H,33,34)
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| InChIKey |
XBYTUPOUJAVHQC-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