General Information of the Compound
| Compound ID |
CP0519958
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| Compound Name |
N-[1-[3-[1-(3,4-dichloroanilino)-5-oxo-8,9-dihydro-7H-pyrido[4,3-c]azepin-6-yl]propyl]piperidin-4-yl]-N-methylethanesulfonamide
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| Structure |
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| Formula |
C26H35Cl2N5O3S
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| Molecular Weight |
568.571
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| Canonical SMILES |
CCS(=O)(=O)N(C)C1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1
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| InChI |
InChI=1S/C26H35Cl2N5O3S/c1-3-37(35,36)31(2)20-10-16-32(17-11-20)13-5-15-33-14-4-6-21-22(26(33)34)9-12-29-25(21)30-19-7-8-23(27)24(28)18-19/h7-9,12,18,20H,3-6,10-11,13-17H2,1-2H3,(H,29,30)
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| InChIKey |
YVEJLLJEFMIDEU-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