General Information of the Compound
| Compound ID |
CP0338429
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| Compound Name |
[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
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| Structure |
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| Formula |
C25H26N4O2S
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| Molecular Weight |
446.576
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| Canonical SMILES |
C[C@@H]1CCCN([C@@H]1CNc1nc2ccccc2o1)C(=O)c1nc(C)sc1-c1ccccc1
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| InChI |
InChI=1S/C25H26N4O2S/c1-16-9-8-14-29(20(16)15-26-25-28-19-12-6-7-13-21(19)31-25)24(30)22-23(32-17(2)27-22)18-10-4-3-5-11-18/h3-7,10-13,16,20H,8-9,14-15H2,1-2H3,(H,26,28)/t16-,20-/m1/s1
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| InChIKey |
DOCDYUJINMSGRS-OXQOHEQNSA-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