General Information of the Compound
| Compound ID |
CP0543125
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| Compound Name |
(S)-3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-3-ylamino)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
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| Structure |
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| Formula |
C30H28N6O
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| Molecular Weight |
488.595
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| Canonical SMILES |
Oc1cccc(c1)-c1c(nn2c(ccnc12)-c1ccc(N[C@@H]2CN3CCC2CC3)cc1)-c1ccncc1
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| InChI |
InChI=1S/C30H28N6O/c37-25-3-1-2-23(18-25)28-29(22-8-13-31-14-9-22)34-36-27(10-15-32-30(28)36)21-4-6-24(7-5-21)33-26-19-35-16-11-20(26)12-17-35/h1-10,13-15,18,20,26,33,37H,11-12,16-17,19H2/t26-/m1/s1
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| InChIKey |
GMJUHMVIMKBELC-AREMUKBSSA-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