General Information of the Compound
| Compound ID |
CP0906234
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| Compound Name |
SID131411588
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| Structure |
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| Formula |
C35H45Cl2N3O6S
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| Molecular Weight |
706.733
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C35H45Cl2N3O6S/c1-24-20-40(25(2)23-41)35(42)30-19-28(38-47(43,44)29-11-6-5-7-12-29)14-16-33(30)46-26(3)10-8-9-17-45-34(24)22-39(4)21-27-13-15-31(36)32(37)18-27/h5-7,11-16,18-19,24-26,34,38,41H,8-10,17,20-23H2,1-4H3/t24-,25-,26+,34-/m1/s1
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| InChIKey |
RXIJSVCALBVVES-YUKNNVIKSA-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