General Information of the Compound
| Compound ID |
CP0951429
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| Compound Name |
3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C30H27N5O2
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| Molecular Weight |
489.579
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| Canonical SMILES |
COc1ccc(-c2c(Nc3cccnc3)[nH]c3c(C4=CCCCC4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C30H27N5O2/c1-37-24-16-14-21(15-17-24)26-28(32-23-13-8-18-31-19-23)33-29-25(20-9-4-2-5-10-20)27(34-35(29)30(26)36)22-11-6-3-7-12-22/h3,6-9,11-19,32-33H,2,4-5,10H2,1H3
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| InChIKey |
HPHHVCPTSPNXDW-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