General Information of the Compound
| Compound ID |
CP0468600
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| Compound Name |
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1H-pyrazol-5-yl)benzamide
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| Structure |
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| Formula |
C18H22ClN3O2
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| Molecular Weight |
347.846
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| Canonical SMILES |
OC1(CNC(=O)c2cc(ccc2Cl)-c2cc[nH]n2)CCCCCC1
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| InChI |
InChI=1S/C18H22ClN3O2/c19-15-6-5-13(16-7-10-21-22-16)11-14(15)17(23)20-12-18(24)8-3-1-2-4-9-18/h5-7,10-11,24H,1-4,8-9,12H2,(H,20,23)(H,21,22)
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| InChIKey |
RYMGBXRKZKAPEA-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