General Information of the Compound
| Compound ID |
CP0044586
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| Compound Name |
3-methoxy-2-methyl-N-[[(2S,3R)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]benzamide
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| Structure |
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| Formula |
C27H31N3O3S
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| Molecular Weight |
477.63
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| Canonical SMILES |
COc1cccc(C(=O)NC[C@@H]2[C@H](C)CCCN2C(=O)c2nc(C)sc2-c2ccccc2)c1C
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| InChI |
InChI=1S/C27H31N3O3S/c1-17-10-9-15-30(22(17)16-28-26(31)21-13-8-14-23(33-4)18(21)2)27(32)24-25(34-19(3)29-24)20-11-6-5-7-12-20/h5-8,11-14,17,22H,9-10,15-16H2,1-4H3,(H,28,31)/t17-,22-/m1/s1
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| InChIKey |
UKKDYYNNMUENSD-VGOFRKELSA-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