General Information of the Compound
| Compound ID |
CP0553201
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| Compound Name |
N-(3-methylpyridin-2-yl)-1-[5-[5-[[(5-methylpyridin-2-yl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C24H27N9OS
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| Molecular Weight |
489.609
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| Canonical SMILES |
Cc1ccc(NCc2ccnn2-c2nnc(s2)N2CCC(CC2)C(=O)Nc2ncccc2C)nc1
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| InChI |
InChI=1S/C24H27N9OS/c1-16-5-6-20(26-14-16)27-15-19-7-11-28-33(19)24-31-30-23(35-24)32-12-8-18(9-13-32)22(34)29-21-17(2)4-3-10-25-21/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3,(H,26,27)(H,25,29,34)
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| InChIKey |
QXSBEBKLAVCCAJ-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