General Information of the Compound
| Compound ID |
CP0433991
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| Compound Name |
(3S,4R)-4-(4-ethyl-N-(pyridin-2-ylmethyl)phenylsulfonamido)-3-hydroxy-2,2-dimethyl-N-phenethylchroman-6-carboxamide
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| Structure |
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| Formula |
C34H37N3O5S
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| Molecular Weight |
599.753
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N(Cc1ccccn1)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C34H37N3O5S/c1-4-24-13-16-28(17-14-24)43(40,41)37(23-27-12-8-9-20-35-27)31-29-22-26(15-18-30(29)42-34(2,3)32(31)38)33(39)36-21-19-25-10-6-5-7-11-25/h5-18,20,22,31-32,38H,4,19,21,23H2,1-3H3,(H,36,39)/t31-,32+/m1/s1
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| InChIKey |
MYPGAHYPJUQECR-ZWXJPIIXSA-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