General Information of the Compound
| Compound ID |
CP0478049
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| Compound Name |
N-[1-[3-[1-[2-(3,4-dichlorophenyl)ethylamino]-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 |
C27H37Cl2N5O3S
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| Molecular Weight |
582.598
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| Canonical SMILES |
CN(C1CCN(CCCN2CCCc3c(NCCc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C27H37Cl2N5O3S/c1-32(38(2,36)37)21-10-17-33(18-11-21)14-4-16-34-15-3-5-22-23(27(34)35)9-13-31-26(22)30-12-8-20-6-7-24(28)25(29)19-20/h6-7,9,13,19,21H,3-5,8,10-12,14-18H2,1-2H3,(H,30,31)
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| InChIKey |
KFMJTELGNAOHJM-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