General Information of the Compound
| Compound ID |
CP0539210
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| Compound Name |
4-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]benzamide
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| Structure |
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| Formula |
C30H29F3N6O2
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| Molecular Weight |
562.596
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| Canonical SMILES |
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)-c1cnn(CCN(C)C)c1)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C30H29F3N6O2/c1-19(23-6-4-5-7-25(23)30(31,32)33)41-27-14-21(8-9-24(27)29(34)40)26-17-35-28-15-20(10-11-39(26)28)22-16-36-38(18-22)13-12-37(2)3/h4-11,14-19H,12-13H2,1-3H3,(H2,34,40)/t19-/m1/s1
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| InChIKey |
PCASZLNWYDTNME-LJQANCHMSA-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