General Information of the Compound
| Compound ID |
CP0445669
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| Compound Name |
3-methyl-1-[[5-methyl-6-(4-piperidin-4-yloxyphenyl)-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 |
C27H26ClN5O3S2
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| Molecular Weight |
568.124
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| Canonical SMILES |
Cl.CC1=CC(=O)N(Nc2nc(nc3sc(c(C)c23)-c2ccc(OC3CCNCC3)cc2)-c2cccs2)C1=O
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| InChI |
InChI=1S/C27H25N5O3S2.ClH/c1-15-14-21(33)32(27(15)34)31-25-22-16(2)23(37-26(22)30-24(29-25)20-4-3-13-36-20)17-5-7-18(8-6-17)35-19-9-11-28-12-10-19;/h3-8,13-14,19,28H,9-12H2,1-2H3,(H,29,30,31);1H
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| InChIKey |
VCONFZXTVQOHKM-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