General Information of the Compound
| Compound ID |
CP0374509
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-[2-[3-(pyrrolidin-1-ylmethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]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)c1NC(=O)c1cccc(c1)-c1nc2ccccn2c1-c1ccnc(Nc2cccc(CN3CCCC3)c2)n1
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| InChI |
InChI=1S/C35H29F2N7O/c36-27-12-7-13-28(37)32(27)42-34(45)25-10-6-9-24(21-25)31-33(44-19-2-1-14-30(44)41-31)29-15-16-38-35(40-29)39-26-11-5-8-23(20-26)22-43-17-3-4-18-43/h1-2,5-16,19-21H,3-4,17-18,22H2,(H,42,45)(H,38,39,40)
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| InChIKey |
FVOSZWWLOFOCFP-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