General Information of the Compound
| Compound ID |
CP0031250
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| Compound Name |
N-[5-[5-[2-(cyclopropylmethylamino)pyrimidin-4-yl]-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]methanesulfonamide
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| Structure |
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| Formula |
C24H29FN6O2S2
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| Molecular Weight |
516.668
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| Canonical SMILES |
CN1CCC(CC1)c1nc(c(s1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C24H29FN6O2S2/c1-31-11-8-16(9-12-31)23-29-21(17-5-6-18(25)20(13-17)30-35(2,32)33)22(34-23)19-7-10-26-24(28-19)27-14-15-3-4-15/h5-7,10,13,15-16,30H,3-4,8-9,11-12,14H2,1-2H3,(H,26,27,28)
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| InChIKey |
LIGMPEYLZKWWSR-UHFFFAOYSA-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