General Information of the Compound
| Compound ID |
CP0398393
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| Compound Name |
(1S,2S)-N-[(1R)-2-hydroxy-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C21H27NO3S
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| Molecular Weight |
373.518
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| Canonical SMILES |
CC[C@H](C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1cccs1
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| InChI |
InChI=1S/C21H27NO3S/c1-3-14(2)13-25-16-8-6-15(7-9-16)19(12-23)22-21(24)18-11-17(18)20-5-4-10-26-20/h4-10,14,17-19,23H,3,11-13H2,1-2H3,(H,22,24)/t14-,17-,18-,19-/m0/s1
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| InChIKey |
OEZAIJNKVSSLFH-QZHFEQFPSA-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