General Information of the Compound
| Compound ID |
CP0456371
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| Compound Name |
N-methyl-N-[1-[3-[5-oxo-1-(pyridin-2-ylamino)-8,9-dihydro-7H-pyrido[4,3-c]azepin-6-yl]propyl]piperidin-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C24H34N6O3S
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| Molecular Weight |
486.642
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| Canonical SMILES |
CN(C1CCN(CCCN2CCCc3c(Nc4ccccn4)nccc3C2=O)CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C24H34N6O3S/c1-28(34(2,32)33)19-10-17-29(18-11-19)14-6-16-30-15-5-7-20-21(24(30)31)9-13-26-23(20)27-22-8-3-4-12-25-22/h3-4,8-9,12-13,19H,5-7,10-11,14-18H2,1-2H3,(H,25,26,27)
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| InChIKey |
PHGBLXKKBSMWFT-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