General Information of the Compound
| Compound ID |
CP0494260
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| Compound Name |
N-[[4-[2-[2-chloro-5-[5-methylsulfonyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]ethynyl]phenyl]methyl]-2-phenylethanamine
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| Structure |
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| Formula |
C37H42ClN5O3S
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| Molecular Weight |
672.295
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCCc2ccccc2)cc1
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| InChI |
InChI=1S/C37H42ClN5O3S/c1-47(44,45)42-21-17-36-34(28-42)37(40-43(36)20-5-19-41-22-24-46-25-23-41)33-14-15-35(38)32(26-33)13-12-30-8-10-31(11-9-30)27-39-18-16-29-6-3-2-4-7-29/h2-4,6-11,14-15,26,39H,5,16-25,27-28H2,1H3
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| InChIKey |
HOENRQXILVCXIJ-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