General Information of the Compound
| Compound ID |
CP0456701
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| Compound Name |
6-(3-methyl-benzo[b]thiophen-2-ylmethyl)-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C27H31N5O2S
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| Molecular Weight |
489.645
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)[nH]c2CCN(Cc3sc4ccccc4c3C)Cc2c1=O
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| InChI |
InChI=1S/C27H31N5O2S/c1-19-21-8-3-4-9-24(21)35-25(19)18-31-14-11-23-22(17-31)26(33)32(27(34)29-23)16-15-30(2)13-10-20-7-5-6-12-28-20/h3-9,12H,10-11,13-18H2,1-2H3,(H,29,34)
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| InChIKey |
RSQLPCDHEBBQIL-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