General Information of the Compound
| Compound ID |
CP0439196
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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-(5,6-dihydropyridin-1(2H)-yl)propan-2-ol
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| Structure |
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| Formula |
C29H32Cl2N4O3S
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| Molecular Weight |
587.573
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCCCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H32Cl2N4O3S/c1-39(37,38)34-16-13-28-26(20-34)29(32-35(28)19-25(36)18-33-14-3-2-4-15-33)23-9-12-27(31)22(17-23)8-5-21-6-10-24(30)11-7-21/h6-7,9-12,17,25,36H,2-4,13-16,18-20H2,1H3
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| InChIKey |
PFZICYJALFAZMZ-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