General Information of the Compound
| Compound ID |
CP0489648
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| Compound Name |
3-(4-chloro-3-methoxyphenyl)-7-(4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C31H29ClN6O
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| Molecular Weight |
537.067
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| Canonical SMILES |
COc1cc(ccc1Cl)-c1c(nn2c(ccnc12)-c1ccc(cc1)N1CC2CCC(C1)N2C)-c1ccncc1
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| InChI |
InChI=1S/C31H29ClN6O/c1-36-24-8-9-25(36)19-37(18-24)23-6-3-20(4-7-23)27-13-16-34-31-29(22-5-10-26(32)28(17-22)39-2)30(35-38(27)31)21-11-14-33-15-12-21/h3-7,10-17,24-25H,8-9,18-19H2,1-2H3
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| InChIKey |
PCVYJQQTOFZNQT-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