General Information of the Compound
| Compound ID |
CP0955184
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| Compound Name |
5-(aminomethyl)-3-(cyclohex-1-en-1-yl)-2-phenyl-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C28H25N5O
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| Molecular Weight |
447.542
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| Canonical SMILES |
NCc1[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C28H25N5O/c29-17-23-24(21-13-14-22-20(16-21)12-7-15-30-22)28(34)33-27(31-23)25(18-8-3-1-4-9-18)26(32-33)19-10-5-2-6-11-19/h2,5-8,10-16,31H,1,3-4,9,17,29H2
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| InChIKey |
LTXHGTFLRACCSI-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