General Information of the Compound
| Compound ID |
CP0570887
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| Compound Name |
2-tert-butyl-N-[[2-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
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| Formula |
C22H23N5OS
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| Molecular Weight |
405.527
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C22H23N5OS/c1-13-9-14(18-16-7-8-23-19(16)27-12-26-18)5-6-15(13)10-24-20(28)17-11-25-21(29-17)22(2,3)4/h5-9,11-12H,10H2,1-4H3,(H,24,28)(H,23,26,27)
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| InChIKey |
JZRKNXZROZTZPM-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