General Information of the Compound
| Compound ID |
CP0444954
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| Compound Name |
(1S,2S)-N-(1,3-benzothiazol-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C17H13FN2OS
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| Molecular Weight |
312.369
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| Canonical SMILES |
Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2s1
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| InChI |
InChI=1S/C17H13FN2OS/c18-11-5-3-4-10(8-11)12-9-13(12)16(21)20-17-19-14-6-1-2-7-15(14)22-17/h1-8,12-13H,9H2,(H,19,20,21)/t12-,13+/m1/s1
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| InChIKey |
BFDUVPUOBMFVEJ-OLZOCXBDSA-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