General Information of the Compound
| Compound ID |
CP0546763
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| Compound Name |
N-[1-[3-[1-(4-chloroanilino)-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 |
C25H34ClN5O3S
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| Molecular Weight |
520.099
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| Canonical SMILES |
CN(C1CCN(CCCN2CCCc3c(Nc4ccc(Cl)cc4)nccc3C2=O)CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H34ClN5O3S/c1-29(35(2,33)34)21-11-17-30(18-12-21)14-4-16-31-15-3-5-22-23(25(31)32)10-13-27-24(22)28-20-8-6-19(26)7-9-20/h6-10,13,21H,3-5,11-12,14-18H2,1-2H3,(H,27,28)
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| InChIKey |
PSYQZHCUAWWHJY-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