General Information of the Compound
| Compound ID |
CP0942507
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| Compound Name |
SID131426088
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| Structure |
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| Formula |
C30H33N3O6S
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| Molecular Weight |
563.676
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| Canonical SMILES |
COc1cccc(C#Cc2ccc3c(c2)O[C@@H](CN(C)C(=O)c2ccccn2)[C@H](C)CN([C@@H](C)CO)S3(=O)=O)c1
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| InChI |
InChI=1S/C30H33N3O6S/c1-21-18-33(22(2)20-34)40(36,37)29-14-13-24(12-11-23-8-7-9-25(16-23)38-4)17-27(29)39-28(21)19-32(3)30(35)26-10-5-6-15-31-26/h5-10,13-17,21-22,28,34H,18-20H2,1-4H3/t21-,22+,28+/m1/s1
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| InChIKey |
AFLRADJLADSQJO-WENCSYSZSA-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