General Information of the Compound
| Compound ID |
CP0897525
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| Compound Name |
SID87218868
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| Structure |
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| Formula |
C31H37Cl2N3O5S
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| Molecular Weight |
634.626
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1
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| InChI |
InChI=1S/C31H37Cl2N3O5S/c1-20-5-9-26(10-6-20)42(39,40)34-25-8-12-29-24(14-25)15-31(38)36(22(3)19-37)16-21(2)30(41-29)18-35(4)17-23-7-11-27(32)28(33)13-23/h5-14,21-22,30,34,37H,15-19H2,1-4H3/t21-,22+,30+/m0/s1
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| InChIKey |
JQXCVRFSCSGTFT-IABYTQIASA-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