General Information of the Compound
| Compound ID |
CP0293490
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| Compound Name |
7-Isopropyl-6-methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C25H31N3O4S
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| Molecular Weight |
469.607
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| Canonical SMILES |
COc1sc2c([nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c2=O)c1C(C)C
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| InChI |
InChI=1S/C25H31N3O4S/c1-14(2)20-21-22(33-24(20)32-4)23(29)28(25(30)26-21)11-10-27-12-15-8-9-17-16(18(15)13-27)6-5-7-19(17)31-3/h5-7,14-15,18H,8-13H2,1-4H3,(H,26,30)/t15-,18+/m0/s1
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| InChIKey |
KHIULIFNYWCVQZ-MAUKXSAKSA-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