General Information of the Compound
| Compound ID |
CP0262863
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| Compound Name |
N-[2-[3-[4-chloro-3-[2-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]acetamide
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| Structure |
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| Formula |
C39H42Cl2N6O3
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| Molecular Weight |
713.71
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| Canonical SMILES |
CC(=O)NCC(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C39H42Cl2N6O3/c1-28(48)43-26-38(49)46-18-15-37-35(27-46)39(44-47(37)17-2-16-45-19-21-50-22-20-45)33-11-14-36(41)32(23-33)10-7-29-3-5-30(6-4-29)24-42-25-31-8-12-34(40)13-9-31/h3-6,8-9,11-14,23,42H,2,15-22,24-27H2,1H3,(H,43,48)
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| InChIKey |
ALAGUVDTKNSBJJ-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