General Information of the Compound
| Compound ID |
CP0510477
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| Compound Name |
3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-4-ylmethylamino)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
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| Structure |
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| Formula |
C31H30N6O
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| Molecular Weight |
502.622
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| Canonical SMILES |
Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(NCC23CCN(CC2)CC3)cc1)-c1ccncc1
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| InChI |
InChI=1S/C31H30N6O/c38-26-3-1-2-24(20-26)28-29(23-8-14-32-15-9-23)35-37-27(10-16-33-30(28)37)22-4-6-25(7-5-22)34-21-31-11-17-36(18-12-31)19-13-31/h1-10,14-16,20,34,38H,11-13,17-19,21H2
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| InChIKey |
WJWNCJMZJIZAHY-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