General Information of the Compound
| Compound ID |
CP0940929
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| Compound Name |
(3aR,5s,6aS)-N-(6-(2-chloro-5-fluorophenyl)pyridazin-3-yl)-2-((tetrahydro-2H-pyran-4-yl)methyl-d2)octahydrocyclopenta[c]pyrrol-5-amine
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| Formula |
C23H28ClFN4O
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| Molecular Weight |
432.9672036
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| Canonical SMILES |
[2H]C([2H])(C1CCOCC1)N1C[C@H]2C[C@H](Nc3ccc(-c4cc(F)ccc4Cl)nn3)C[C@H]2C1
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| InChI |
InChI=1S/C23H28ClFN4O/c24-21-2-1-18(25)11-20(21)22-3-4-23(28-27-22)26-19-9-16-13-29(14-17(16)10-19)12-15-5-7-30-8-6-15/h1-4,11,15-17,19H,5-10,12-14H2,(H,26,28)/t16-,17+,19+/i12D2
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| InChIKey |
XHKPKSGPVFYQNR-PPXJSGPKSA-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