General Information of the Compound
| Compound ID |
CP0683137
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| Compound Name |
(S)-5-(1-acetyl-1,2,3,6-tetrahydropyridin-4-yl)-2-(benzo[d][1,3]dioxol-5-ylmethylamino)-N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)nicotinamide
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| Structure |
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| Formula |
C30H30N4O6
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| Molecular Weight |
542.592
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| Canonical SMILES |
CC(=O)N1CC=C(c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)CC1
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| InChI |
InChI=1S/C30H30N4O6/c1-19(35)34-10-8-21(9-11-34)22-13-24(30(36)33-16-23-17-37-25-4-2-3-5-27(25)40-23)29(32-15-22)31-14-20-6-7-26-28(12-20)39-18-38-26/h2-8,12-13,15,23H,9-11,14,16-18H2,1H3,(H,31,32)(H,33,36)/t23-/m0/s1
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| InChIKey |
HEXRINPHTNWMBV-QHCPKHFHSA-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