General Information of the Compound
| Compound ID |
CP0453403
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| Compound Name |
2-Amino-6-(2-fluoro-benzenesulfonylamino)-hexanoic acid (6-fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-amide
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| Structure |
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| Formula |
C28H32F2N4O3S
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| Molecular Weight |
542.652
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| Canonical SMILES |
N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1
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| InChI |
InChI=1S/C28H32F2N4O3S/c29-21-11-12-22-20(17-21)10-13-26(23(22)16-19-6-5-14-32-18-19)34-28(35)25(31)8-3-4-15-33-38(36,37)27-9-2-1-7-24(27)30/h1-2,5-7,9,11-12,14,17-18,23,25-26,33H,3-4,8,10,13,15-16,31H2,(H,34,35)/t23?,25-,26?/m0/s1
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| InChIKey |
ALVGMHQSSHZIGN-DHWVBAGJSA-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