General Information of the Compound
| Compound ID |
CP0485566
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| Compound Name |
N-[1-[3-[1-(3-fluoroanilino)-5-oxo-8,9-dihydro-7H-pyrido[4,3-c]azepin-6-yl]propyl]piperidin-4-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C25H34FN5O3S
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| Molecular Weight |
503.644
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| Canonical SMILES |
CN(C1CCN(CCCN2CCCc3c(Nc4cccc(F)c4)nccc3C2=O)CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H34FN5O3S/c1-29(35(2,33)34)21-10-16-30(17-11-21)13-5-15-31-14-4-8-22-23(25(31)32)9-12-27-24(22)28-20-7-3-6-19(26)18-20/h3,6-7,9,12,18,21H,4-5,8,10-11,13-17H2,1-2H3,(H,27,28)
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| InChIKey |
OYNSYPQCBRZITH-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