General Information of the Compound
| Compound ID |
CP0538103
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| Compound Name |
(R)-2-(4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-morpholinopropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)ethynyl)benzylamino)-2-phenylethanol
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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 |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CN[C@@H](CO)c2ccccc2)cc1
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| InChI |
InChI=1S/C37H42ClN5O4S/c1-48(45,46)42-19-16-36-33(26-42)37(40-43(36)18-5-17-41-20-22-47-23-21-41)32-14-15-34(38)31(24-32)13-12-28-8-10-29(11-9-28)25-39-35(27-44)30-6-3-2-4-7-30/h2-4,6-11,14-15,24,35,39,44H,5,16-23,25-27H2,1H3/t35-/m0/s1
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| InChIKey |
CRCMNVQWPHBLNS-DHUJRADRSA-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