General Information of the Compound
| Compound ID |
CP0388666
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| Compound Name |
3-chloro-N-[2-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]pyrimidin-5-yl]benzamide
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| Structure |
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| Formula |
C22H18ClFN4O2
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| Molecular Weight |
424.863
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| Canonical SMILES |
Fc1ccc(NC(=O)C2(CCC2)c2ncc(NC(=O)c3cccc(Cl)c3)cn2)cc1
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| InChI |
InChI=1S/C22H18ClFN4O2/c23-15-4-1-3-14(11-15)19(29)27-18-12-25-20(26-13-18)22(9-2-10-22)21(30)28-17-7-5-16(24)6-8-17/h1,3-8,11-13H,2,9-10H2,(H,27,29)(H,28,30)
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| InChIKey |
SXGTXRIIQPEXAW-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