General Information of the Compound
| Compound ID |
CP0510852
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| Compound Name |
N-[5-[(3R)-4-[[(1R)-1-[4-(difluoromethoxy)phenyl]-2-phenylethyl]amino]-3-hydroxybutyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C26H30F2N2O5S
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| Molecular Weight |
520.598
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(CC[C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O
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| InChI |
InChI=1S/C26H30F2N2O5S/c1-36(33,34)30-24-16-19(8-14-25(24)32)7-11-21(31)17-29-23(15-18-5-3-2-4-6-18)20-9-12-22(13-10-20)35-26(27)28/h2-6,8-10,12-14,16,21,23,26,29-32H,7,11,15,17H2,1H3/t21-,23-/m1/s1
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| InChIKey |
MQEQMQDFRYVBCZ-FYYLOGMGSA-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