General Information of the Compound
| Compound ID |
CP0104182
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| Compound Name |
4-({2-[(5-Cyano-1,3-thiazol-2-yl)amino]-4-pyridinyl}-methyl)-N,N-dimethyl-1-piperazinecarboxamide
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| Structure |
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| Formula |
C17H21N7OS
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| Molecular Weight |
371.47
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| Canonical SMILES |
CN(C)C(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1
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| InChI |
InChI=1S/C17H21N7OS/c1-22(2)17(25)24-7-5-23(6-8-24)12-13-3-4-19-15(9-13)21-16-20-11-14(10-18)26-16/h3-4,9,11H,5-8,12H2,1-2H3,(H,19,20,21)
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| InChIKey |
APCZORVVDYPETN-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