General Information of the Compound
| Compound ID |
CP0497254
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| Compound Name |
3-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorobenzonitrile
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| Structure |
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| Formula |
C25H21ClFN5O
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| Molecular Weight |
461.928
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| Canonical SMILES |
C[C@@H](Nc1c(Cl)cnc2ccc(cc12)-c1cnc(nc1)C(C)(C)O)c1cc(ccc1F)C#N
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| InChI |
InChI=1S/C25H21ClFN5O/c1-14(18-8-15(10-28)4-6-21(18)27)32-23-19-9-16(5-7-22(19)29-13-20(23)26)17-11-30-24(31-12-17)25(2,3)33/h4-9,11-14,33H,1-3H3,(H,29,32)/t14-/m1/s1
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| InChIKey |
MWDITUDLVMBLPB-CQSZACIVSA-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