General Information of the Compound
| Compound ID |
CP0548277
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| Compound Name |
2-[4-[4-[2-(2,5-difluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine
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| Formula |
C28H23F2N7
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| Molecular Weight |
495.537
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| Canonical SMILES |
CN(C)CCn1cc(cn1)-c1ccc2c(ccnc2c1)-n1ccc2cnc(nc12)-c1cc(F)ccc1F
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| InChI |
InChI=1S/C28H23F2N7/c1-35(2)11-12-36-17-20(16-33-36)18-3-5-22-25(13-18)31-9-7-26(22)37-10-8-19-15-32-27(34-28(19)37)23-14-21(29)4-6-24(23)30/h3-10,13-17H,11-12H2,1-2H3
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| InChIKey |
BBPUYHIFUQZCKN-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