General Information of the Compound
| Compound ID |
CP0494142
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| Compound Name |
N-[(5S)-5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]-2-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C28H35FN4O3S
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| Molecular Weight |
526.678
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| Canonical SMILES |
N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)CNC1CCc2cc(O)ccc2C1Cc1cccnc1
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| InChI |
InChI=1S/C28H35FN4O3S/c29-26-8-1-2-9-28(26)37(35,36)33-15-4-3-7-22(30)19-32-27-13-10-21-17-23(34)11-12-24(21)25(27)16-20-6-5-14-31-18-20/h1-2,5-6,8-9,11-12,14,17-18,22,25,27,32-34H,3-4,7,10,13,15-16,19,30H2/t22-,25?,27?/m0/s1
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| InChIKey |
DYRFYKOYSPZJNA-HVGLPDNPSA-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