General Information of the Compound
| Compound ID |
CP0529904
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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]-N-methyl-1-phenylmethanamine
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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 |
CN(Cc1ccccc1)Cc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
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| InChI |
InChI=1S/C37H42ClN5O3S/c1-40(26-30-7-4-3-5-8-30)27-31-11-9-29(10-12-31)13-14-32-25-33(15-16-35(32)38)37-34-28-42(47(2,44)45)20-17-36(34)43(39-37)19-6-18-41-21-23-46-24-22-41/h3-5,7-12,15-16,25H,6,17-24,26-28H2,1-2H3
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| InChIKey |
CXCDLXPYSUCCLQ-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