General Information of the Compound
| Compound ID |
CP0572780
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| Compound Name |
N-(pyridin-4-ylmethyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-amine
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| Formula |
C23H22N4O3S
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| Molecular Weight |
434.521
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| Canonical SMILES |
COc1cc(\C=C\c2nc(NCc3ccncc3)c3sccc3n2)cc(OC)c1OC
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| InChI |
InChI=1S/C23H22N4O3S/c1-28-18-12-16(13-19(29-2)21(18)30-3)4-5-20-26-17-8-11-31-22(17)23(27-20)25-14-15-6-9-24-10-7-15/h4-13H,14H2,1-3H3,(H,25,26,27)/b5-4+
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| InChIKey |
JYFFTVGXUBGZJH-SNAWJCMRSA-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