General Information of the Compound
| Compound ID |
CP0505653
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| Compound Name |
6-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(1-pyrrolidinyl)ethyl]-2-naphthalenecarboxamide
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| Structure |
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| Formula |
C29H25ClN4O2S
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| Molecular Weight |
529.065
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4cc(ccc4c3)C(=O)NCCN3CCCC3)c(=O)c2s1
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| InChI |
InChI=1S/C29H25ClN4O2S/c30-23-8-5-19(6-9-23)26-17-25-27(37-26)29(36)34(18-32-25)24-10-7-20-15-22(4-3-21(20)16-24)28(35)31-11-14-33-12-1-2-13-33/h3-10,15-18H,1-2,11-14H2,(H,31,35)
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| InChIKey |
CVMUMFKQGWSATO-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