General Information of the Compound
| Compound ID |
CP0408965
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| Compound Name |
3-methyl-1-[[5-methyl-6-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]pyrrole-2,5-dione;hydrochloride
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| Structure |
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| Formula |
C28H30ClN5O3S2
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| Molecular Weight |
584.167
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| Canonical SMILES |
Cl.CC(C)CNCCOc1ccc(cc1)-c1sc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1C)-c1cccs1
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| InChI |
InChI=1S/C28H29N5O3S2.ClH/c1-16(2)15-29-11-12-36-20-9-7-19(8-10-20)24-18(4)23-26(32-33-22(34)14-17(3)28(33)35)30-25(31-27(23)38-24)21-6-5-13-37-21;/h5-10,13-14,16,29H,11-12,15H2,1-4H3,(H,30,31,32);1H
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| InChIKey |
OXWNJZSAKQEJRA-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