General Information of the Compound
| Compound ID |
CP0496211
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| Compound Name |
(4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-morpholinopropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)ethynyl)phenyl)methanamine
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| Structure |
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| Formula |
C29H34ClN5O3S
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| Molecular Weight |
568.143
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CN)cc1
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| InChI |
InChI=1S/C29H34ClN5O3S/c1-39(36,37)34-14-11-28-26(21-34)29(32-35(28)13-2-12-33-15-17-38-18-16-33)25-9-10-27(30)24(19-25)8-7-22-3-5-23(20-31)6-4-22/h3-6,9-10,19H,2,11-18,20-21,31H2,1H3
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| InChIKey |
BZCJFGLOIONAEU-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