General Information of the Compound
| Compound ID |
CP0565562
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| Compound Name |
(+/-)-1-Oxo-hexahydro-1lambda*4*-thiopyran-4-carboxylic acid{(S)-3-[4-(3-isopropyl-5-methyl-[1,2,4]triazol-4-yl)-piperidin-1-yl]-1-phenyl-butyl}-amide
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| Structure |
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| Formula |
C27H41N5O2S
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| Molecular Weight |
499.725
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| Canonical SMILES |
CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCS(=O)CC1)c1ccccc1
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| InChI |
InChI=1S/C27H41N5O2S/c1-19(2)26-30-29-21(4)32(26)24-10-14-31(15-11-24)20(3)18-25(22-8-6-5-7-9-22)28-27(33)23-12-16-35(34)17-13-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,28,33)/t20?,23?,25-,35?/m0/s1
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| InChIKey |
LEHOUXIHBMZBJZ-KDOBJBSRSA-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