General Information of the Compound
| Compound ID |
CP0455635
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| Compound Name |
N-[(3R,4S)-6-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-ethylbenzenesulfonamide
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| Structure |
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| Formula |
C33H41N3O5S
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| Molecular Weight |
591.774
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(cc12)C(=O)N1CCC[C@H]1CNc1c(C)cccc1C
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| InChI |
InChI=1S/C33H41N3O5S/c1-6-23-12-15-26(16-13-23)42(39,40)35-30-27-19-24(14-17-28(27)41-33(4,5)31(30)37)32(38)36-18-8-11-25(36)20-34-29-21(2)9-7-10-22(29)3/h7,9-10,12-17,19,25,30-31,34-35,37H,6,8,11,18,20H2,1-5H3/t25-,30-,31+/m0/s1
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| InChIKey |
ZGNURVKJDROBKC-LGXAAPQCSA-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