General Information of the Compound
| Compound ID |
CP0318457
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| Compound Name |
2-[1-[2-[[(2-cyclopropylacetyl)-ethylamino]methyl]-4-(trifluoromethyl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C25H26F3N3O3
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| Molecular Weight |
473.495
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| Canonical SMILES |
CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)CC1CC1
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| InChI |
InChI=1S/C25H26F3N3O3/c1-3-30(22(32)10-16-5-6-16)13-18-11-19(25(26,27)28)7-9-21(18)31-14-17(12-23(33)34)20-8-4-15(2)29-24(20)31/h4,7-9,11,14,16H,3,5-6,10,12-13H2,1-2H3,(H,33,34)
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| InChIKey |
ZSPPXRTTYIJKBN-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