General Information of the Compound
| Compound ID |
CP0551226
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| Compound Name |
N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]-6-(2,3,5-trifluorophenyl)pyridazin-3-amine
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| Structure |
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| Formula |
C24H29F3N4O
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| Molecular Weight |
446.517
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| Canonical SMILES |
Fc1cc(F)c(F)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1
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| InChI |
InChI=1S/C24H29F3N4O/c25-18-11-19(23(27)20(26)12-18)21-1-2-22(30-29-21)28-14-17-13-24(17)5-7-31(8-6-24)15-16-3-9-32-10-4-16/h1-2,11-12,16-17H,3-10,13-15H2,(H,28,30)/t17-/m0/s1
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| InChIKey |
KRMYNVCNISSHTN-KRWDZBQOSA-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