General Information of the Compound
| Compound ID |
CP0874578
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| Compound Name |
2-[(1R,5S,6S)-3-(1H-1,3-Benzodiazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide trihydrochloride
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| Formula |
C23H24Cl3FN6OS
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| Molecular Weight |
557.91
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| Canonical SMILES |
Cl.Cl.Cl.O=C(NCc1ncccc1F)c1csc([C@H]2[C@@H]3CN(Cc4nc5ccccc5[nH]4)C[C@@H]32)n1
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| InChI |
InChI=1S/C23H21FN6OS.3ClH/c24-15-4-3-7-25-18(15)8-26-22(31)19-12-32-23(29-19)21-13-9-30(10-14(13)21)11-20-27-16-5-1-2-6-17(16)28-20;;;/h1-7,12-14,21H,8-11H2,(H,26,31)(H,27,28);3*1H/t13-,14+,21+;;;
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| InChIKey |
VZFDOHOHDYYPAT-IEKNJPMASA-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