General Information of the Compound
| Compound ID |
CP0158477
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| Compound Name |
methyl 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-3-imidazol-1-ylpropanoate
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| Structure |
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| Formula |
C18H18ClN5O3
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| Molecular Weight |
387.827
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| Canonical SMILES |
COC(=O)C(Cn1ccnc1)NC(=O)c1c(C)nn(c1Cl)-c1ccccc1
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| InChI |
InChI=1S/C18H18ClN5O3/c1-12-15(16(19)24(22-12)13-6-4-3-5-7-13)17(25)21-14(18(26)27-2)10-23-9-8-20-11-23/h3-9,11,14H,10H2,1-2H3,(H,21,25)
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| InChIKey |
PYZSBQQHZCMXFK-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