General Information of the Compound
| Compound ID |
CP0513638
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| Compound Name |
2-[4-[5-[3-chloro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid
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| Structure |
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| Formula |
C27H26ClFN6O2
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| Molecular Weight |
520.996
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| Canonical SMILES |
C[C@@H](Nc1c(Cl)cnc2ccc(cc12)-c1cnc(nc1)N1CCN(CC(O)=O)CC1)c1ccccc1F
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| InChI |
InChI=1S/C27H26ClFN6O2/c1-17(20-4-2-3-5-23(20)29)33-26-21-12-18(6-7-24(21)30-15-22(26)28)19-13-31-27(32-14-19)35-10-8-34(9-11-35)16-25(36)37/h2-7,12-15,17H,8-11,16H2,1H3,(H,30,33)(H,36,37)/t17-/m1/s1
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| InChIKey |
YAKFYPWRWQOXRK-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