General Information of the Compound
| Compound ID |
CP0908637
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| Compound Name |
SID131412778
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| Structure |
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| Formula |
C33H45ClN4O9S2
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| Molecular Weight |
741.329
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| Canonical SMILES |
Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C
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| InChI |
InChI=1S/C33H45ClN4O9S2/c1-21-18-38(22(2)20-39)33(40)29-17-27(36-48(41,42)28-13-10-26(34)11-14-28)12-15-30(29)46-23(3)9-7-8-16-45-31(21)19-37(6)49(43,44)32-24(4)35-47-25(32)5/h10-15,17,21-23,31,36,39H,7-9,16,18-20H2,1-6H3/t21-,22-,23+,31+/m0/s1
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| InChIKey |
PXOSMEYXQXLIQR-ZAUAPEEVSA-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