General Information of the Compound
| Compound ID |
CP0515774
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| Compound Name |
N-[2-[(3-chloro-2-fluorophenyl)methylsulfanyl]-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]piperazine-1-sulfonamide
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| Structure |
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| Formula |
C18H24ClFN6O3S2
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| Molecular Weight |
491.014
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| Canonical SMILES |
C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCNCC2)nc(SCc2cccc(Cl)c2F)n1
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| InChI |
InChI=1S/C18H24ClFN6O3S2/c1-12(10-27)22-15-9-16(25-31(28,29)26-7-5-21-6-8-26)24-18(23-15)30-11-13-3-2-4-14(19)17(13)20/h2-4,9,12,21,27H,5-8,10-11H2,1H3,(H2,22,23,24,25)/t12-/m1/s1
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| InChIKey |
WWPWKWJTPISSCQ-GFCCVEGCSA-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