General Information of the Compound
| Compound ID |
CP0902495
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| Compound Name |
4-(2-(1H-tetrazol-1-yl)ethyl)-2,3-diphenyl-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Structure |
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| Formula |
C30H22N8O
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| Molecular Weight |
510.561
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| Canonical SMILES |
O=c1c(-c2ccc3ncccc3c2)cn(CCn2cnnn2)c2c(-c3ccccc3)c(-c3ccccc3)nn12
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| InChI |
InChI=1S/C30H22N8O/c39-30-25(23-13-14-26-24(18-23)12-7-15-31-26)19-36(16-17-37-20-32-34-35-37)29-27(21-8-3-1-4-9-21)28(33-38(29)30)22-10-5-2-6-11-22/h1-15,18-20H,16-17H2
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| InChIKey |
JPJQRHQCRBXEFA-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