General Information of the Compound
| Compound ID |
CP0186992
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| Compound Name |
1-[(2-indazol-1-yl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N,N-dimethylpiperidin-4-amine
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| Structure |
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| Formula |
C25H31N7OS
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| Molecular Weight |
477.638
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| Canonical SMILES |
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-n2ncc3ccccc23)CC1
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| InChI |
InChI=1S/C25H31N7OS/c1-29(2)19-7-9-30(10-8-19)17-20-15-21-23(34-20)24(31-11-13-33-14-12-31)28-25(27-21)32-22-6-4-3-5-18(22)16-26-32/h3-6,15-16,19H,7-14,17H2,1-2H3
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| InChIKey |
CCOQGCTZTBNVGP-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