General Information of the Compound
| Compound ID |
CP0423692
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| Compound Name |
(2R)-1-benzoyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
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| Structure |
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| Formula |
C23H23N3O3S
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| Molecular Weight |
421.522
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)n1
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| InChI |
InChI=1S/C23H23N3O3S/c1-29-18-12-10-16(11-13-18)19-15-30-23(24-19)25-21(27)20-9-5-6-14-26(20)22(28)17-7-3-2-4-8-17/h2-4,7-8,10-13,15,20H,5-6,9,14H2,1H3,(H,24,25,27)/t20-/m1/s1
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| InChIKey |
CBTUUEQSTWLERG-HXUWFJFHSA-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