General Information of the Compound
| Compound ID |
CP0966408
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| Compound Name |
4-(2-aminoethyl)-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 |
C29H23N5O
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| Molecular Weight |
457.537
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| Canonical SMILES |
NCCn1cc(-c2ccc3ncccc3c2)c(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c12
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| InChI |
InChI=1S/C29H23N5O/c30-15-17-33-19-24(22-13-14-25-23(18-22)12-7-16-31-25)29(35)34-28(33)26(20-8-3-1-4-9-20)27(32-34)21-10-5-2-6-11-21/h1-14,16,18-19H,15,17,30H2
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| InChIKey |
WICMOQIRLYRYKZ-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