General Information of the Compound
| Compound ID |
CP0539324
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| Compound Name |
2-methylpropyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-3-imidazol-1-ylpropanoate
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| Structure |
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| Formula |
C21H24ClN5O3
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| Molecular Weight |
429.908
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| Canonical SMILES |
CC(C)COC(=O)C(Cn1ccnc1)NC(=O)c1c(C)nn(c1Cl)-c1ccccc1
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| InChI |
InChI=1S/C21H24ClN5O3/c1-14(2)12-30-21(29)17(11-26-10-9-23-13-26)24-20(28)18-15(3)25-27(19(18)22)16-7-5-4-6-8-16/h4-10,13-14,17H,11-12H2,1-3H3,(H,24,28)
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| InChIKey |
ZGYRQULAVVNNPK-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