General Information of the Compound
| Compound ID |
CP0398663
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| Compound Name |
(S)-N-(2,4-dichlorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
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| Structure |
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| Formula |
C22H21Cl2N3O
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| Molecular Weight |
414.336
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| Canonical SMILES |
Clc1ccc(Nc2ccc(CN3CCO[C@H](C3)c3ccccc3)cn2)c(Cl)c1
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| InChI |
InChI=1S/C22H21Cl2N3O/c23-18-7-8-20(19(24)12-18)26-22-9-6-16(13-25-22)14-27-10-11-28-21(15-27)17-4-2-1-3-5-17/h1-9,12-13,21H,10-11,14-15H2,(H,25,26)/t21-/m1/s1
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| InChIKey |
UEQFDKPJVORYNS-OAQYLSRUSA-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