General Information of the Compound
| Compound ID |
CP0578247
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| Compound Name |
N-[(3R)-1-[7-(3,4-dimethoxyphenyl)-2,6-dimethylthieno[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
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| Structure |
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| Formula |
C22H26N4O3S
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| Molecular Weight |
426.542
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)sc2c(nc(C)nc12)N1CC[C@H](C1)NC(C)=O
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| InChI |
InChI=1S/C22H26N4O3S/c1-12-19(15-6-7-17(28-4)18(10-15)29-5)20-21(30-12)22(24-13(2)23-20)26-9-8-16(11-26)25-14(3)27/h6-7,10,16H,8-9,11H2,1-5H3,(H,25,27)/t16-/m1/s1
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| InChIKey |
HCIGDXILZJPYQS-MRXNPFEDSA-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