General Information of the Compound
| Compound ID |
CP0469537
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| Compound Name |
1'-(6-(1-methyl-3-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-5-yl)pyridazin-3-yl)-5-(trifluoromethyl)spiro[chroman-2,4'-piperidine]
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| Structure |
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| Formula |
C27H26F3N7O
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| Molecular Weight |
521.547
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| Canonical SMILES |
Cn1nc(Cc2cccnc2)nc1-c1ccc(nn1)N1CCC2(CC1)CCc1c(O2)cccc1C(F)(F)F
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| InChI |
InChI=1S/C27H26F3N7O/c1-36-25(32-23(35-36)16-18-4-3-13-31-17-18)21-7-8-24(34-33-21)37-14-11-26(12-15-37)10-9-19-20(27(28,29)30)5-2-6-22(19)38-26/h2-8,13,17H,9-12,14-16H2,1H3
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| InChIKey |
BSKAWUIOJVBKRM-UHFFFAOYSA-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