General Information of the Compound
| Compound ID |
CP0102956
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| Compound Name |
[6-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]pyridin-2-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C25H25N9OS
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| Molecular Weight |
499.604
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| Canonical SMILES |
Cc1cn2c(cnc2c(Nc2cc(Cc3cccc(n3)C(=O)N3CCCCC3)ns2)n1)-c1cn[nH]c1
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| InChI |
InChI=1S/C25H25N9OS/c1-16-15-34-21(17-12-27-28-13-17)14-26-24(34)23(29-16)31-22-11-19(32-36-22)10-18-6-5-7-20(30-18)25(35)33-8-3-2-4-9-33/h5-7,11-15H,2-4,8-10H2,1H3,(H,27,28)(H,29,31)
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| InChIKey |
BLSODUBGWXTNGZ-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