General Information of the Compound
| Compound ID |
CP0439493
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| Compound Name |
6-(4-chlorophenyl)-3-[6-(1-pyrrolidinylmethyl)-5,6,7,8-tetrahydro-2-naphthalenyl]thieno[3,2-d]pyrimidin-4-(3H)-one
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| Structure |
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| Formula |
C27H26ClN3OS
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| Molecular Weight |
476.045
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4CC(CN5CCCC5)CCc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C27H26ClN3OS/c28-22-8-5-19(6-9-22)25-15-24-26(33-25)27(32)31(17-29-24)23-10-7-20-13-18(3-4-21(20)14-23)16-30-11-1-2-12-30/h5-10,14-15,17-18H,1-4,11-13,16H2
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| InChIKey |
LCFDTYGDUUJULJ-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