General Information of the Compound
| Compound ID |
CP0464262
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| Compound Name |
N-[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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| Structure |
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| Formula |
C24H30N6OS
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| Molecular Weight |
450.612
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)CSc3nnc(C)n3-c3ccccc3)c(C)c2)CC1
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| InChI |
InChI=1S/C24H30N6OS/c1-18-15-20(16-29-13-11-28(3)12-14-29)9-10-22(18)25-23(31)17-32-24-27-26-19(2)30(24)21-7-5-4-6-8-21/h4-10,15H,11-14,16-17H2,1-3H3,(H,25,31)
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| InChIKey |
NCUOTEHZEQAFPV-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