General Information of the Compound
| Compound ID |
CP0377424
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| Compound Name |
(3S,4R)-N-ethyl-4-(4-ethylphenylsulfonamido)-3-hydroxy-2,2-dimethyl-N-(2-(phenylamino)ethyl)-3,4-dihydro-2H-chromene-6-carboxamide
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| Structure |
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| Formula |
C30H37N3O5S
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| Molecular Weight |
551.709
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| Canonical SMILES |
CCN(CCNc1ccccc1)C(=O)c1ccc2OC(C)(C)[C@@H](O)[C@H](NS(=O)(=O)c3ccc(CC)cc3)c2c1
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| InChI |
InChI=1S/C30H37N3O5S/c1-5-21-12-15-24(16-13-21)39(36,37)32-27-25-20-22(14-17-26(25)38-30(3,4)28(27)34)29(35)33(6-2)19-18-31-23-10-8-7-9-11-23/h7-17,20,27-28,31-32,34H,5-6,18-19H2,1-4H3/t27-,28+/m1/s1
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| InChIKey |
QKIYRCPRFNAXAQ-IZLXSDGUSA-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