General Information of the Compound
| Compound ID |
CP0445671
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| Compound Name |
3-[2-[4-[5-methyl-4-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-6-yl]phenoxy]ethylamino]propanenitrile;hydrochloride
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| Structure |
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| Formula |
C27H25ClN6O3S2
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| Molecular Weight |
581.123
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| Canonical SMILES |
Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OCCNCCC#N)cc2)-c2cccs2)C1=O
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| InChI |
InChI=1S/C27H24N6O3S2.ClH/c1-16-15-21(34)33(27(16)35)32-25-22-17(2)23(38-26(22)31-24(30-25)20-5-3-14-37-20)18-6-8-19(9-7-18)36-13-12-29-11-4-10-28;/h3,5-9,14-15,29H,4,11-13H2,1-2H3,(H,30,31,32);1H
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| InChIKey |
PYMOOMBYEWNJLK-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