General Information of the Compound
| Compound ID |
CP0564399
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| Compound Name |
6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine
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| Structure |
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| Formula |
C24H30ClFN4O
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| Molecular Weight |
444.982
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| Canonical SMILES |
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1
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| InChI |
InChI=1S/C24H30ClFN4O/c25-21-2-1-19(26)13-20(21)22-3-4-23(29-28-22)27-15-18-14-24(18)7-9-30(10-8-24)16-17-5-11-31-12-6-17/h1-4,13,17-18H,5-12,14-16H2,(H,27,29)/t18-/m0/s1
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| InChIKey |
NORLOFDPLORONC-SFHVURJKSA-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