General Information of the Compound
| Compound ID |
CP0519694
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| Compound Name |
2-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]-5-propylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C17H20N4O2
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| Molecular Weight |
312.373
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| Canonical SMILES |
CCCc1nn(C)c(C(N)=O)c1NC(=O)\C=C\c1ccccc1
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| InChI |
InChI=1S/C17H20N4O2/c1-3-7-13-15(16(17(18)23)21(2)20-13)19-14(22)11-10-12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3,(H2,18,23)(H,19,22)/b11-10+
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| InChIKey |
VAXHZCKTCQGTNZ-ZHACJKMWSA-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