General Information of the Compound
| Compound ID |
CP0570040
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| Compound Name |
N-(4-benzoylphenyl)-8-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]octanamide
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| Formula |
C34H36N6O3S
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| Molecular Weight |
608.768
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| Canonical SMILES |
Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(cc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C34H36N6O3S/c1-39-30(23-29-27-15-10-11-16-28(27)33(43)40(2)38-29)36-37-34(39)44-22-12-5-3-4-9-17-31(41)35-26-20-18-25(19-21-26)32(42)24-13-7-6-8-14-24/h6-8,10-11,13-16,18-21H,3-5,9,12,17,22-23H2,1-2H3,(H,35,41)
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| InChIKey |
JDWUULUXEHZPNW-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