General Information of the Compound
| Compound ID |
CP0442435
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| Compound Name |
6-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[3-(1-pyrrolidinyl)propyl]-2-naphthalenecarboxamide
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| Structure |
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| Formula |
C30H27ClN4O2S
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| Molecular Weight |
543.092
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4cc(ccc4c3)C(=O)NCCCN3CCCC3)c(=O)c2s1
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| InChI |
InChI=1S/C30H27ClN4O2S/c31-24-9-6-20(7-10-24)27-18-26-28(38-27)30(37)35(19-33-26)25-11-8-21-16-23(5-4-22(21)17-25)29(36)32-12-3-15-34-13-1-2-14-34/h4-11,16-19H,1-3,12-15H2,(H,32,36)
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| InChIKey |
KTUUGIXLHKSABH-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