General Information of the Compound
| Compound ID |
CP0375558
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| Compound Name |
[2-[6-(3-chlorophenyl)-4-(2-hydroxy-2-methylpropyl)pyridin-3-yl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
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| Structure |
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| Formula |
C23H24ClN3O2S
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| Molecular Weight |
441.984
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| Canonical SMILES |
CC(C)(O)Cc1cc(ncc1C1CCCN1C(=O)c1nccs1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C23H24ClN3O2S/c1-23(2,29)13-16-12-19(15-5-3-6-17(24)11-15)26-14-18(16)20-7-4-9-27(20)22(28)21-25-8-10-30-21/h3,5-6,8,10-12,14,20,29H,4,7,9,13H2,1-2H3
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| InChIKey |
ZFWJHRHYLANHPY-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