General Information of the Compound
| Compound ID |
CP0907409
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| Compound Name |
SID85792388
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| Structure |
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| Formula |
C35H39N3O6S
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| Molecular Weight |
629.779
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| Canonical SMILES |
C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C35H39N3O6S/c1-25-21-38(26(2)24-39)35(40)32-20-28(36-45(41,42)31-12-8-5-9-13-31)16-19-33(32)44-34(25)23-37(3)22-27-14-17-30(18-15-27)43-29-10-6-4-7-11-29/h4-20,25-26,34,36,39H,21-24H2,1-3H3/t25-,26-,34+/m0/s1
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| InChIKey |
MURCZWOVERITEN-XIWHWFKQSA-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