General Information of the Compound
| Compound ID |
CP0453066
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| Compound Name |
N-[4-[3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-oxothieno[3,2-d]pyrimidin-6-yl]phenyl]acetamide
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| Structure |
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| Formula |
C27H28N4O4S
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| Molecular Weight |
504.612
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(NC(C)=O)cc1
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| InChI |
InChI=1S/C27H28N4O4S/c1-18(32)29-20-7-5-19(6-8-20)25-16-22-26(36-25)27(33)31(17-28-22)21-9-10-23(24(15-21)34-2)35-14-13-30-11-3-4-12-30/h5-10,15-17H,3-4,11-14H2,1-2H3,(H,29,32)
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| InChIKey |
BNUDIJREBYJXML-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