General Information of the Compound
| Compound ID |
CP0375030
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| Compound Name |
2,6-difluoro-N-(3-(3-(2-(3-(pyrrolidin-1-ylmethyl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
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| Structure |
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| Formula |
C35H29F2N7O
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| Molecular Weight |
601.661
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| Canonical SMILES |
Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2cccc(CN3CCCC3)c2)n1
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| InChI |
InChI=1S/C35H29F2N7O/c36-27-12-7-13-28(37)31(27)34(45)39-26-11-6-9-24(21-26)32-33(44-19-2-1-14-30(44)42-32)29-15-16-38-35(41-29)40-25-10-5-8-23(20-25)22-43-17-3-4-18-43/h1-2,5-16,19-21H,3-4,17-18,22H2,(H,39,45)(H,38,40,41)
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| InChIKey |
XYQKWUPJOALDBD-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