General Information of the Compound
| Compound ID |
CP0870103
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| Compound Name |
(3aR,5s,6aS)-2-((tetrahydro-2H-pyran-4-yl)methyl-d2)-N-(6-(2,3,5-trifluorophenyl)pyridazin-3-yl)octahydrocyclopenta[c]pyrrol-5-amine
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| Formula |
C23H27F3N4O
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| Molecular Weight |
434.5022036
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| Canonical SMILES |
[2H]C([2H])(C1CCOCC1)N1C[C@H]2C[C@H](Nc3ccc(-c4cc(F)cc(F)c4F)nn3)C[C@H]2C1
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| InChI |
InChI=1S/C23H27F3N4O/c24-17-9-19(23(26)20(25)10-17)21-1-2-22(29-28-21)27-18-7-15-12-30(13-16(15)8-18)11-14-3-5-31-6-4-14/h1-2,9-10,14-16,18H,3-8,11-13H2,(H,27,29)/t15-,16+,18+/i11D2
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| InChIKey |
ITSKPCHXUYILTR-VRBVDISKSA-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