General Information of the Compound
| Compound ID |
CP0507593
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| Compound Name |
1-[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]-N-[(4-methoxyphenyl)methyl]methanamine
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| Structure |
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| Formula |
C37H42ClN5O4S
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| Molecular Weight |
688.294
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| Canonical SMILES |
COc1ccc(CNCc2ccc(cc2)C#Cc2cc(ccc2Cl)-c2nn(CCCN3CCOCC3)c3CCN(Cc23)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C37H42ClN5O4S/c1-46-33-13-9-30(10-14-33)26-39-25-29-6-4-28(5-7-29)8-11-31-24-32(12-15-35(31)38)37-34-27-42(48(2,44)45)19-16-36(34)43(40-37)18-3-17-41-20-22-47-23-21-41/h4-7,9-10,12-15,24,39H,3,16-23,25-27H2,1-2H3
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| InChIKey |
RDBXEODYTOMMBB-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