General Information of the Compound
| Compound ID |
CP0378315
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| Compound Name |
(2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-diphenylamino-[1,4']bipiperidinyl-1'-yl)-methanone
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| Structure |
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| Formula |
C30H36N4O2
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| Molecular Weight |
484.644
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| Canonical SMILES |
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H36N4O2/c1-23-13-22-33(36)24(2)29(23)30(35)32-20-14-25(15-21-32)31-18-16-28(17-19-31)34(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-13,22,25,28H,14-21H2,1-2H3
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| InChIKey |
FBZSHCHGNUZBDT-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