General Information of the Compound
| Compound ID |
CP0579457
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| Compound Name |
(8E,13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-10,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6,8-tetraene
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| Structure |
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| Formula |
C23H33N3O5S
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| Molecular Weight |
463.6
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| Canonical SMILES |
C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2COC3CCC(CC3)c3ccccc3\C=C\OC(=O)N12
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| InChI |
InChI=1S/C23H33N3O5S/c1-16-14-21(24-32(28,29)25(2)3)22-15-31-19-10-8-18(9-11-19)20-7-5-4-6-17(20)12-13-30-23(27)26(16)22/h4-7,12-13,16,18-19,21-22,24H,8-11,14-15H2,1-3H3/b13-12+/t16-,18?,19?,21+,22+/m1/s1
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| InChIKey |
STIPETWZTMTJFW-WZOSIZDNSA-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