General Information of the Compound
| Compound ID |
CP0247119
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| Compound Name |
N,N-dimethyl-1-[[2-(3-methylisoquinolin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine
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| Structure |
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| Formula |
C28H34N6OS
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| Molecular Weight |
502.688
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| Canonical SMILES |
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(C)ncc3ccccc23)CC1
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| InChI |
InChI=1S/C28H34N6OS/c1-19-25(23-7-5-4-6-20(23)17-29-19)27-30-24-16-22(18-33-10-8-21(9-11-33)32(2)3)36-26(24)28(31-27)34-12-14-35-15-13-34/h4-7,16-17,21H,8-15,18H2,1-3H3
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| InChIKey |
HSNDOBIAJVZAKG-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