General Information of the Compound
| Compound ID |
CP0501040
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| Compound Name |
(3S,4R)-4-(4-ethylphenylsulfonamido)-3-hydroxy-2,2-dimethyl-N-(2-(pyridin-2-yl)ethyl)-3,4-dihydro-2H-chromene-6-carboxamide
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| Structure |
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| Formula |
C27H31N3O5S
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| Molecular Weight |
509.628
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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)NCCc1ccccn1
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| InChI |
InChI=1S/C27H31N3O5S/c1-4-18-8-11-21(12-9-18)36(33,34)30-24-22-17-19(10-13-23(22)35-27(2,3)25(24)31)26(32)29-16-14-20-7-5-6-15-28-20/h5-13,15,17,24-25,30-31H,4,14,16H2,1-3H3,(H,29,32)/t24-,25+/m1/s1
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| InChIKey |
UVWFRVSWZOPUFQ-RPBOFIJWSA-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