General Information of the Compound
| Compound ID |
CP0907787
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| Compound Name |
SID131412290
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| Structure |
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| Formula |
C36H49N3O9S2
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| Molecular Weight |
731.934
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| Canonical SMILES |
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(C)cc2)OCCCC[C@H](C)O3)cc1
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| InChI |
InChI=1S/C36H49N3O9S2/c1-25-10-15-32(16-11-25)50(44,45)38(5)23-35-26(2)22-39(27(3)24-40)36(41)33-21-29(12-19-34(33)48-28(4)9-7-8-20-47-35)37-49(42,43)31-17-13-30(46-6)14-18-31/h10-19,21,26-28,35,37,40H,7-9,20,22-24H2,1-6H3/t26-,27+,28-,35+/m0/s1
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| InChIKey |
SSLPDWPDZJOMMX-WMVXZGOPSA-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