General Information of the Compound
| Compound ID |
CP0418868
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| Compound Name |
6-[[(3S,4S)-4-[2-(furan-2-ylmethylamino)ethoxy]pyrrolidin-3-yl]methyl]-4-methylpyridin-2-amine
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| Structure |
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| Formula |
C18H26N4O2
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| Molecular Weight |
330.432
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| Canonical SMILES |
Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccco2)c1
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| InChI |
InChI=1S/C18H26N4O2/c1-13-7-15(22-18(19)8-13)9-14-10-21-12-17(14)24-6-4-20-11-16-3-2-5-23-16/h2-3,5,7-8,14,17,20-21H,4,6,9-12H2,1H3,(H2,19,22)/t14-,17+/m0/s1
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| InChIKey |
JGPWHIBNRITPFL-WMLDXEAASA-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