General Information of the Compound
| Compound ID |
CP0061163
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| Compound Name |
8-[4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C21H22N6OS
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| Molecular Weight |
406.515
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| Canonical SMILES |
O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccs2)cn1
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| InChI |
InChI=1S/C21H22N6OS/c28-21-17-3-7-22-20(19(17)23-14-24-21)27-13-15(12-25-27)4-8-26-9-5-16(6-10-26)18-2-1-11-29-18/h1-3,7,11-14,16H,4-6,8-10H2,(H,23,24,28)
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| InChIKey |
XIVQRYFYMNIDET-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