General Information of the Compound
| Compound ID |
CP0377020
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| Compound Name |
2-chloro-5-(5-fluoropyrimidin-2-yl)-N-((1-hydroxycycloheptyl)methyl)benzamide
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| Structure |
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| Formula |
C19H21ClFN3O2
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| Molecular Weight |
377.847
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| Canonical SMILES |
OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCCCCC1
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| InChI |
InChI=1S/C19H21ClFN3O2/c20-16-6-5-13(17-22-10-14(21)11-23-17)9-15(16)18(25)24-12-19(26)7-3-1-2-4-8-19/h5-6,9-11,26H,1-4,7-8,12H2,(H,24,25)
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| InChIKey |
RBHAYLPXUXVSCQ-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