General Information of the Compound
| Compound ID |
CP0566423
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| Compound Name |
N-[1-[3-[1-(4-tert-butylanilino)-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 |
C29H43N5O3S
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| Molecular Weight |
541.762
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| Canonical SMILES |
CN(C1CCN(CCCN2CCCc3c(Nc4ccc(cc4)C(C)(C)C)nccc3C2=O)CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C29H43N5O3S/c1-29(2,3)22-9-11-23(12-10-22)31-27-25-8-6-18-34(28(35)26(25)13-16-30-27)19-7-17-33-20-14-24(15-21-33)32(4)38(5,36)37/h9-13,16,24H,6-8,14-15,17-21H2,1-5H3,(H,30,31)
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| InChIKey |
AXCUKESKIBWORW-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