General Information of the Compound
| Compound ID |
CP0485777
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| Compound Name |
naphthalen-1-yl 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C23H22N4O2S
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| Molecular Weight |
418.522
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| Canonical SMILES |
CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)Oc1cccc2ccccc12
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| InChI |
InChI=1S/C23H22N4O2S/c1-2-17-14-19-21(24-15-25-22(19)30-17)26-10-12-27(13-11-26)23(28)29-20-9-5-7-16-6-3-4-8-18(16)20/h3-9,14-15H,2,10-13H2,1H3
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| InChIKey |
GBMFWLTVUNOEGR-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