General Information of the Compound
| Compound ID |
CP0374931
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| Compound Name |
(2S)-3-(4-fluorophenyl)-N-[2-methyl-5-[2-(methylamino)pyridin-4-yl]pyrazol-3-yl]-2-(2H-triazol-4-ylmethylamino)propanamide
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| Structure |
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| Formula |
C22H24FN9O
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| Molecular Weight |
449.494
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| Canonical SMILES |
CNc1cc(ccn1)-c1cc(NC(=O)[C@H](Cc2ccc(F)cc2)NCc2cnn[nH]2)n(C)n1
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| InChI |
InChI=1S/C22H24FN9O/c1-24-20-10-15(7-8-25-20)18-11-21(32(2)30-18)28-22(33)19(26-12-17-13-27-31-29-17)9-14-3-5-16(23)6-4-14/h3-8,10-11,13,19,26H,9,12H2,1-2H3,(H,24,25)(H,28,33)(H,27,29,31)/t19-/m0/s1
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| InChIKey |
JMPSEFXATHMJIG-IBGZPJMESA-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