General Information of the Compound
| Compound ID |
CP0378629
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| Compound Name |
(R)-N-((R)-7-((dimethylamino)methyl)chroman-4-yl)-3-(naphthalene-3-sulfonamido)-3-phenylpropanamide
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| Structure |
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| Formula |
C31H33N3O4S
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| Molecular Weight |
543.689
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| Canonical SMILES |
CN(C)Cc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
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| InChI |
InChI=1S/C31H33N3O4S/c1-34(2)21-22-12-15-27-28(16-17-38-30(27)18-22)32-31(35)20-29(24-9-4-3-5-10-24)33-39(36,37)26-14-13-23-8-6-7-11-25(23)19-26/h3-15,18-19,28-29,33H,16-17,20-21H2,1-2H3,(H,32,35)/t28-,29-/m1/s1
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| InChIKey |
JZDWFVSJVHLGNS-FQLXRVMXSA-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