General Information of the Compound
| Compound ID |
CP0039550
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| Compound Name |
10-(3-(2-fluoropyridin-3-yl)phenyl)-10-(4-(trifluoromethoxy)phenyl)-2,3,4,5,6,10-hexahydroimidazo[1,5-a][1,3]diazocin-8-amine
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| Formula |
C26H23F4N5O
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| Molecular Weight |
497.496
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| Canonical SMILES |
NC1=NC(\C2=N\CCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F
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| InChI |
InChI=1S/C26H23F4N5O/c27-22-21(8-5-14-32-22)17-6-4-7-19(16-17)25(18-9-11-20(12-10-18)36-26(28,29)30)23-33-13-2-1-3-15-35(23)24(31)34-25/h4-12,14,16H,1-3,13,15H2,(H2,31,34)/b33-23-
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| InChIKey |
UFMYOISPMQWRNH-SNCSUOKWSA-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