General Information of the Compound
| Compound ID |
CP0208127
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| Compound Name |
2-(1-(3,5-diethoxy-4-(1H-pyrrol-1-yl)benzyl)piperidin-4-ylamino)-N,N-dimethylbenzo[d]oxazole-5-sulfonamide
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| Structure |
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| Formula |
C29H37N5O5S
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| Molecular Weight |
567.712
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(=O)(=O)N(C)C)cc(OCC)c1-n1cccc1
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| InChI |
InChI=1S/C29H37N5O5S/c1-5-37-26-17-21(18-27(38-6-2)28(26)34-13-7-8-14-34)20-33-15-11-22(12-16-33)30-29-31-24-19-23(9-10-25(24)39-29)40(35,36)32(3)4/h7-10,13-14,17-19,22H,5-6,11-12,15-16,20H2,1-4H3,(H,30,31)
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| InChIKey |
NYMPDEKHLLUZPU-UHFFFAOYSA-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