General Information of the Compound
| Compound ID |
CP0555774
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| Compound Name |
propyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-3-imidazol-1-ylpropanoate
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| Structure |
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| Formula |
C20H22ClN5O3
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| Molecular Weight |
415.881
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| Canonical SMILES |
CCCOC(=O)C(Cn1ccnc1)NC(=O)c1c(C)nn(c1Cl)-c1ccccc1
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| InChI |
InChI=1S/C20H22ClN5O3/c1-3-11-29-20(28)16(12-25-10-9-22-13-25)23-19(27)17-14(2)24-26(18(17)21)15-7-5-4-6-8-15/h4-10,13,16H,3,11-12H2,1-2H3,(H,23,27)
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| InChIKey |
XICINSYJQBPHLD-UHFFFAOYSA-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