General Information of the Compound
| Compound ID |
CP0390957
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| Compound Name |
5-amino-1-[4-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-pyrroli- din-3-yl]ethynyl]-2-pyri- diyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C16H16N6O3
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| Molecular Weight |
340.343
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| Canonical SMILES |
CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(cc2N)C(N)=O)C1=O
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| InChI |
InChI=1S/C16H16N6O3/c1-21-7-5-16(25,15(21)24)4-2-10-3-6-19-13(8-10)22-12(17)9-11(20-22)14(18)23/h3,6,8-9,25H,5,7,17H2,1H3,(H2,18,23)/t16-/m0/s1
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| InChIKey |
CUWHKXADIYQZNO-INIZCTEOSA-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