General Information of the Compound
| Compound ID |
CP0477079
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| Compound Name |
5-[(1R,3R)-3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dimethyl-cyclopropyl]-thiazol-2-ylamine
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| Structure |
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| Formula |
C16H18N2OS
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| Molecular Weight |
286.4
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| Canonical SMILES |
CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)c1cnc(N)s1
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| InChI |
InChI=1S/C16H18N2OS/c1-16(2)13(14(16)12-8-18-15(17)20-12)10-4-3-5-11-9(10)6-7-19-11/h3-5,8,13-14H,6-7H2,1-2H3,(H2,17,18)/t13-,14-/m1/s1
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| InChIKey |
IRGKQVAANUBZAU-ZIAGYGMSSA-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