General Information of the Compound
| Compound ID |
CP0417533
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| Compound Name |
2-[8-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C25H23N9OS2
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| Molecular Weight |
529.655
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| Canonical SMILES |
Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C#N)n1
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| InChI |
InChI=1S/C25H23N9OS2/c1-14-22(37-15(2)30-14)20-13-36-25(31-20)32-21-6-3-17(10-27-21)23(35)34-18-4-5-19(34)12-33(11-18)24-28-8-16(7-26)9-29-24/h3,6,8-10,13,18-19H,4-5,11-12H2,1-2H3,(H,27,31,32)
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| InChIKey |
VRIVVPJOFYYUKP-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