General Information of the Compound
| Compound ID |
CP0538785
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| Compound Name |
(2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C19H17N3OS
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| Molecular Weight |
335.432
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| Canonical SMILES |
O=C(N1CCC[C@H]1c1ccncc1)c1cnc(s1)-c1ccccc1
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| InChI |
InChI=1S/C19H17N3OS/c23-19(17-13-21-18(24-17)15-5-2-1-3-6-15)22-12-4-7-16(22)14-8-10-20-11-9-14/h1-3,5-6,8-11,13,16H,4,7,12H2/t16-/m0/s1
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| InChIKey |
HMKNOEAHTULQFA-INIZCTEOSA-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