General Information of the Compound
| Compound ID |
CP0467047
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| Compound Name |
(3S,4R)-N-(2-(1H-imidazol-4-yl)ethyl)-4-(4-ethylphenylsulfonamido)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide
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| Structure |
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| Formula |
C25H30N4O5S
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| Molecular Weight |
498.605
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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)NCCc1cnc[nH]1
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| InChI |
InChI=1S/C25H30N4O5S/c1-4-16-5-8-19(9-6-16)35(32,33)29-22-20-13-17(7-10-21(20)34-25(2,3)23(22)30)24(31)27-12-11-18-14-26-15-28-18/h5-10,13-15,22-23,29-30H,4,11-12H2,1-3H3,(H,26,28)(H,27,31)/t22-,23+/m1/s1
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| InChIKey |
BCMDZHVBGMSNLW-PKTZIBPZSA-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