General Information of the Compound
| Compound ID |
CP0426432
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| Compound Name |
N-[1-[3-[1-(3,5-dichloroanilino)-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 |
C25H33Cl2N5O3S
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| Molecular Weight |
554.544
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| Canonical SMILES |
CN(C1CCN(CCCN2CCCc3c(Nc4cc(Cl)cc(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H33Cl2N5O3S/c1-30(36(2,34)35)21-7-13-31(14-8-21)10-4-12-32-11-3-5-22-23(25(32)33)6-9-28-24(22)29-20-16-18(26)15-19(27)17-20/h6,9,15-17,21H,3-5,7-8,10-14H2,1-2H3,(H,28,29)
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| InChIKey |
LGTYSWPYKWQPQB-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