General Information of the Compound
| Compound ID |
CP0569423
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| Compound Name |
(2S)-N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C20H17ClFN3OS
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| Molecular Weight |
401.894
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| Canonical SMILES |
Fc1ccc(cc1)-c1csc(n1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H17ClFN3OS/c21-14-5-9-16(10-6-14)23-20(26)25-11-1-2-18(25)19-24-17(12-27-19)13-3-7-15(22)8-4-13/h3-10,12,18H,1-2,11H2,(H,23,26)/t18-/m0/s1
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| InChIKey |
JDUHUGKZMOABIP-SFHVURJKSA-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