General Information of the Compound
| Compound ID |
CP0526730
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| Compound Name |
2-[[(2S)-3-(4-fluorophenyl)-1-[[2-methyl-5-[2-(methylamino)pyridin-4-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]amino]acetic acid
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| Structure |
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| Formula |
C21H23FN6O3
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| Molecular Weight |
426.452
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| Canonical SMILES |
CNc1cc(ccn1)-c1cc(NC(=O)[C@H](Cc2ccc(F)cc2)NCC(O)=O)n(C)n1
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| InChI |
InChI=1S/C21H23FN6O3/c1-23-18-10-14(7-8-24-18)16-11-19(28(2)27-16)26-21(31)17(25-12-20(29)30)9-13-3-5-15(22)6-4-13/h3-8,10-11,17,25H,9,12H2,1-2H3,(H,23,24)(H,26,31)(H,29,30)/t17-/m0/s1
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| InChIKey |
MPMAEUSZVYUQGL-KRWDZBQOSA-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