General Information of the Compound
| Compound ID |
CP0421562
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| Compound Name |
2-[5-[3-chloro-4-[[(1R)-1-(2-fluoro-5-pyrrolidin-1-ylphenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
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| Structure |
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| Formula |
C28H29ClFN5O
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| Molecular Weight |
506.025
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| Canonical SMILES |
C[C@@H](Nc1c(Cl)cnc2ccc(cc12)-c1cnc(nc1)C(C)(C)O)c1cc(ccc1F)N1CCCC1
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| InChI |
InChI=1S/C28H29ClFN5O/c1-17(21-13-20(7-8-24(21)30)35-10-4-5-11-35)34-26-22-12-18(6-9-25(22)31-16-23(26)29)19-14-32-27(33-15-19)28(2,3)36/h6-9,12-17,36H,4-5,10-11H2,1-3H3,(H,31,34)/t17-/m1/s1
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| InChIKey |
QTPFGQAQERVHJG-QGZVFWFLSA-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