General Information of the Compound
| Compound ID |
CP0098885
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| Compound Name |
propan-2-yl N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]carbamate
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| Structure |
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| Formula |
C22H24ClN3O3
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| Molecular Weight |
413.905
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| Canonical SMILES |
CC(C)OC(=O)Nc1cc(C)n(Cc2cc(Cl)ccc2OCc2ccccc2)n1
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| InChI |
InChI=1S/C22H24ClN3O3/c1-15(2)29-22(27)24-21-11-16(3)26(25-21)13-18-12-19(23)9-10-20(18)28-14-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,24,25,27)
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| InChIKey |
CKCKWQLHSQKPAK-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