General Information of the Compound
| Compound ID |
CP0926619
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| Compound Name |
SID87539854
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| Structure |
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| Formula |
C37H51N3O7S
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| Molecular Weight |
681.896
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| Canonical SMILES |
COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
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| InChI |
InChI=1S/C37H51N3O7S/c1-26-10-17-33(18-11-26)48(43,44)38-31-14-19-35-34(21-31)37(42)40(28(3)25-41)22-27(2)36(46-20-8-7-9-29(4)47-35)24-39(5)23-30-12-15-32(45-6)16-13-30/h10-19,21,27-29,36,38,41H,7-9,20,22-25H2,1-6H3/t27-,28-,29+,36+/m1/s1
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| InChIKey |
JULLQOCSFVORMO-JDJCDPLLSA-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