General Information of the Compound
| Compound ID |
CP0374065
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| Compound Name |
1-(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)-N-methylmethanamine
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| Structure |
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| Formula |
C30H36ClN5O3S
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| Molecular Weight |
582.17
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| Canonical SMILES |
CNCc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
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| InChI |
InChI=1S/C30H36ClN5O3S/c1-32-21-24-6-4-23(5-7-24)8-9-25-20-26(10-11-28(25)31)30-27-22-35(40(2,37)38)15-12-29(27)36(33-30)14-3-13-34-16-18-39-19-17-34/h4-7,10-11,20,32H,3,12-19,21-22H2,1-2H3
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| InChIKey |
XDPTYEGBWHMTMF-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