General Information of the Compound
| Compound ID |
CP0198289
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| Compound Name |
8-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C25H26N6O3
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| Molecular Weight |
458.522
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| Canonical SMILES |
O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(Cc3ccc4OCOc4c3)CC2)cn1
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| InChI |
InChI=1S/C25H26N6O3/c32-25-20-3-7-26-24(23(20)27-15-28-25)31-14-19(13-29-31)6-10-30-8-4-17(5-9-30)11-18-1-2-21-22(12-18)34-16-33-21/h1-3,7,12-15,17H,4-6,8-11,16H2,(H,27,28,32)
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| InChIKey |
UZFOOEZHJLPYBL-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