General Information of the Compound
| Compound ID |
CP0514936
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| Compound Name |
N-(12-methyl-14-oxo-8-pyridin-2-yl-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaen-4-yl)ethanesulfonamide
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| Structure |
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| Formula |
C22H21N5O3S
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| Molecular Weight |
435.509
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| Canonical SMILES |
CCS(=O)(=O)Nc1ccc2N(Cc3cn(C)c4c3c(c[nH]c4=O)-c2c1)c1ccccn1
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| InChI |
InChI=1S/C22H21N5O3S/c1-3-31(29,30)25-15-7-8-18-16(10-15)17-11-24-22(28)21-20(17)14(12-26(21)2)13-27(18)19-6-4-5-9-23-19/h4-12,25H,3,13H2,1-2H3,(H,24,28)
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| InChIKey |
MGVZMPLAPFTVQW-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