General Information of the Compound
| Compound ID |
CP0452448
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| Compound Name |
(S)-methyl 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-phenylacetate
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| Structure |
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| Formula |
C38H42ClN5O5S
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| Molecular Weight |
716.304
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| Canonical SMILES |
COC(=O)[C@@H](NCc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O)c1ccccc1
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| InChI |
InChI=1S/C38H42ClN5O5S/c1-48-38(45)37(30-7-4-3-5-8-30)40-26-29-11-9-28(10-12-29)13-14-31-25-32(15-16-34(31)39)36-33-27-43(50(2,46)47)20-17-35(33)44(41-36)19-6-18-42-21-23-49-24-22-42/h3-5,7-12,15-16,25,37,40H,6,17-24,26-27H2,1-2H3/t37-/m0/s1
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| InChIKey |
TZLJXSAGEPCNMH-QNGWXLTQSA-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