General Information of the Compound
| Compound ID |
CP0564388
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| Compound Name |
2-[4-[3-chloro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]phenyl]propan-2-ol
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| Structure |
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| Formula |
C26H24ClFN2O
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| Molecular Weight |
434.942
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| Canonical SMILES |
C[C@@H](Nc1c(Cl)cnc2ccc(cc12)-c1ccc(cc1)C(C)(C)O)c1ccccc1F
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| InChI |
InChI=1S/C26H24ClFN2O/c1-16(20-6-4-5-7-23(20)28)30-25-21-14-18(10-13-24(21)29-15-22(25)27)17-8-11-19(12-9-17)26(2,3)31/h4-16,31H,1-3H3,(H,29,30)/t16-/m1/s1
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| InChIKey |
NEYKKBDJHMGACL-MRXNPFEDSA-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