General Information of the Compound
| Compound ID |
CP0423419
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| Compound Name |
1-(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-4-oxo-4,5-dihydrothiazol-5-yl}phenyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C22H22FN3O2S
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| Molecular Weight |
411.502
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| Canonical SMILES |
C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C1(CC1)C(N)=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H22FN3O2S/c1-13(14-3-9-17(23)10-4-14)25-20-26-19(28)21(2,29-20)15-5-7-16(8-6-15)22(11-12-22)18(24)27/h3-10,13H,11-12H2,1-2H3,(H2,24,27)(H,25,26,28)/t13-,21?/m0/s1
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| InChIKey |
XZVYHDOKKMKZAQ-JRTLGTJJSA-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