General Information of the Compound
| Compound ID |
CP0492447
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| Compound Name |
N-(2,4-dichlorophenyl)-8-[[5-[[3-[3-(dimethylamino)propyl]-4-oxophthalazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]octanamide
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| Formula |
C31H39Cl2N7O2S
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| Molecular Weight |
644.673
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| Canonical SMILES |
CN(C)CCCn1nc(Cc2nnc(SCCCCCCCC(=O)Nc3ccc(Cl)cc3Cl)n2C)c2ccccc2c1=O
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| InChI |
InChI=1S/C31H39Cl2N7O2S/c1-38(2)17-11-18-40-30(42)24-13-9-8-12-23(24)27(37-40)21-28-35-36-31(39(28)3)43-19-10-6-4-5-7-14-29(41)34-26-16-15-22(32)20-25(26)33/h8-9,12-13,15-16,20H,4-7,10-11,14,17-19,21H2,1-3H3,(H,34,41)
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| InChIKey |
WSSZFFYJMSHQBH-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
Protein ID: PT07276, Interleukin-15
Protein ID: PT03663, Interleukin-15
Protein ID: PT03664, Interleukin-2