General Information of the Compound
| Compound ID |
CP0406758
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| Compound Name |
(2S)-2-[(2-amino-2-oxoethyl)amino]-3-(4-fluorophenyl)-N-[2-methyl-5-[2-(methylamino)pyridin-4-yl]pyrazol-3-yl]propanamide
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| Structure |
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| Formula |
C21H24FN7O2
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| Molecular Weight |
425.468
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| Canonical SMILES |
CNc1cc(ccn1)-c1cc(NC(=O)[C@H](Cc2ccc(F)cc2)NCC(N)=O)n(C)n1
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| InChI |
InChI=1S/C21H24FN7O2/c1-24-19-10-14(7-8-25-19)16-11-20(29(2)28-16)27-21(31)17(26-12-18(23)30)9-13-3-5-15(22)6-4-13/h3-8,10-11,17,26H,9,12H2,1-2H3,(H2,23,30)(H,24,25)(H,27,31)/t17-/m0/s1
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| InChIKey |
SLMBNTUAKKMIAE-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