General Information of the Compound
| Compound ID |
CP0380465
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| Compound Name |
N-[3-[cyclopentyl(furan-2-ylmethyl)amino]propyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
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| Structure |
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| Formula |
C25H28N2O2S2
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| Molecular Weight |
452.645
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| Canonical SMILES |
O=C(NCCCN(Cc1ccco1)C1CCCC1)c1cc2CSc3ccccc3-c2s1
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| InChI |
InChI=1S/C25H28N2O2S2/c28-25(23-15-18-17-30-22-11-4-3-10-21(22)24(18)31-23)26-12-6-13-27(19-7-1-2-8-19)16-20-9-5-14-29-20/h3-5,9-11,14-15,19H,1-2,6-8,12-13,16-17H2,(H,26,28)
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| InChIKey |
QQQNLTRJFIEVRX-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