General Information of the Compound
| Compound ID |
CP0942110
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| Compound Name |
2-[(1R,5S,6S)-3-[2-(1H-1,3-Benzodiazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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| Formula |
C24H23FN6OS
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| Molecular Weight |
462.554
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1csc([C@@H]2[C@@H]3CN(CCc4nc5ccccc5[nH]4)C[C@@H]32)n1
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| InChI |
InChI=1S/C24H23FN6OS/c25-16-4-3-8-26-19(16)10-27-23(32)20-13-33-24(30-20)22-14-11-31(12-15(14)22)9-7-21-28-17-5-1-2-6-18(17)29-21/h1-6,8,13-15,22H,7,9-12H2,(H,27,32)(H,28,29)/t14-,15+,22-
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| InChIKey |
PZJGAWXRZSBLKQ-YEZVWNJWSA-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