General Information of the Compound
| Compound ID |
CP0518146
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| Compound Name |
(3S,4R)-4-(4-Ethyl-benzenesulfonylamino)-3-hydroxy-2,2-dimethyl-N-phenethyl-chroman-6-carboxamidine
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| Structure |
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| Formula |
C28H33N3O4S
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| Molecular Weight |
507.656
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C(N)=NCCc1ccccc1
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| InChI |
InChI=1S/C28H33N3O4S/c1-4-19-10-13-22(14-11-19)36(33,34)31-25-23-18-21(12-15-24(23)35-28(2,3)26(25)32)27(29)30-17-16-20-8-6-5-7-9-20/h5-15,18,25-26,31-32H,4,16-17H2,1-3H3,(H2,29,30)/t25-,26+/m1/s1
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| InChIKey |
IPIWYXVVZDAUNS-FTJBHMTQSA-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