General Information of the Compound
| Compound ID |
CP0465080
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| Compound Name |
1-[[6-[4-[2-(2-hydroxyethylamino)ethoxy]phenyl]-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-3-methylpyrrole-2,5-dione;hydrochloride
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| Structure |
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| Formula |
C26H26ClN5O4S2
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| Molecular Weight |
572.112
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| Canonical SMILES |
Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OCCNCCO)cc2)-c2cccs2)C1=O
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| InChI |
InChI=1S/C26H25N5O4S2.ClH/c1-15-14-20(33)31(26(15)34)30-24-21-16(2)22(37-25(21)29-23(28-24)19-4-3-13-36-19)17-5-7-18(8-6-17)35-12-10-27-9-11-32;/h3-8,13-14,27,32H,9-12H2,1-2H3,(H,28,29,30);1H
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| InChIKey |
GYYQOBSXWXWLRW-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