General Information of the Compound
| Compound ID |
CP0537890
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| Compound Name |
6-(4-chlorophenyl)-3-(2-{[4-(4-fluorophenyl)-1-piperidinyl]-methyl}-6-quinolinyl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C33H26ClFN4OS
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| Molecular Weight |
581.116
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| Canonical SMILES |
Fc1ccc(cc1)C1CCN(Cc2ccc3cc(ccc3n2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C33H26ClFN4OS/c34-25-6-1-23(2-7-25)31-18-30-32(41-31)33(40)39(20-36-30)28-11-12-29-24(17-28)5-10-27(37-29)19-38-15-13-22(14-16-38)21-3-8-26(35)9-4-21/h1-12,17-18,20,22H,13-16,19H2
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| InChIKey |
RQJWJHHGWVZDIQ-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