General Information of the Compound
| Compound ID |
CP0539915
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| Compound Name |
3-chloro-6-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]quinolin-4-amine
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| Structure |
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| Formula |
C25H23ClFN5O2S
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| Molecular Weight |
512.01
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| Canonical SMILES |
C[C@@H](Nc1c(Cl)cnc2ccc(cc12)-c1cnc(nc1)N1CCS(=O)(=O)CC1)c1ccccc1F
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| InChI |
InChI=1S/C25H23ClFN5O2S/c1-16(19-4-2-3-5-22(19)27)31-24-20-12-17(6-7-23(20)28-15-21(24)26)18-13-29-25(30-14-18)32-8-10-35(33,34)11-9-32/h2-7,12-16H,8-11H2,1H3,(H,28,31)/t16-/m1/s1
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| InChIKey |
WPAUVOWBCWKNRC-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