General Information of the Compound
| Compound ID |
CP0418694
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| Compound Name |
1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)-3-morpholinopropan-2-ol
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| Structure |
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| Formula |
C28H30Cl2N4O4S
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| Molecular Weight |
589.545
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H30Cl2N4O4S/c1-39(36,37)33-11-10-27-25(19-33)28(31-34(27)18-24(35)17-32-12-14-38-15-13-32)22-6-9-26(30)21(16-22)5-2-20-3-7-23(29)8-4-20/h3-4,6-9,16,24,35H,10-15,17-19H2,1H3
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| InChIKey |
PXKOHHBXQMUYBL-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