General Information of the Compound
| Compound ID |
CP0467048
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| Compound Name |
N-[(3S,4R)-6-(5-amino-3-phenylpyrazole-1-carbonyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-ethylbenzenesulfonamide
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| Structure |
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| Formula |
C29H30N4O5S
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| Molecular Weight |
546.649
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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)n1nc(cc1N)-c1ccccc1
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| InChI |
InChI=1S/C29H30N4O5S/c1-4-18-10-13-21(14-11-18)39(36,37)32-26-22-16-20(12-15-24(22)38-29(2,3)27(26)34)28(35)33-25(30)17-23(31-33)19-8-6-5-7-9-19/h5-17,26-27,32,34H,4,30H2,1-3H3/t26-,27+/m1/s1
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| InChIKey |
TUAUXGUOYDDDKI-SXOMAYOGSA-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