General Information of the Compound
| Compound ID |
CP0410850
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| Compound Name |
(3-chloro-4-fluorophenyl)-[4-[[[6-(diethylamino)-5-methylpyridin-2-yl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
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| Structure |
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| Formula |
C24H31ClF2N4O
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| Molecular Weight |
464.988
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| Canonical SMILES |
CCN(CC)c1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ccc1C
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| InChI |
InChI=1S/C24H31ClF2N4O/c1-4-30(5-2)22-17(3)6-8-19(29-22)15-28-16-24(27)10-12-31(13-11-24)23(32)18-7-9-21(26)20(25)14-18/h6-9,14,28H,4-5,10-13,15-16H2,1-3H3
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| InChIKey |
ZXRDUXWLWTXVEO-UHFFFAOYSA-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