General Information of the Compound
| Compound ID |
CP0170911
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| Compound Name |
N-(2-ethoxyethyl)-N-[(2S)-2-hydroxy-3-(6-oxospiro[3,4,7,8-tetrahydropyrano[3,2-f]isoindole-2,3'-piperidine]-1'-yl)propyl]-2,6-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C30H41N3O6S
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| Molecular Weight |
571.74
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(CCc3cc4C(=O)NCc4cc3O2)C1)S(=O)(=O)c1c(C)cccc1C
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| InChI |
InChI=1S/C30H41N3O6S/c1-4-38-14-13-33(40(36,37)28-21(2)7-5-8-22(28)3)19-25(34)18-32-12-6-10-30(20-32)11-9-23-15-26-24(16-27(23)39-30)17-31-29(26)35/h5,7-8,15-16,25,34H,4,6,9-14,17-20H2,1-3H3,(H,31,35)/t25-,30?/m0/s1
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| InChIKey |
BWCCMCBGMWBCFE-SUHMBNCMSA-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