General Information of the Compound
| Compound ID |
CP0897522
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| Compound Name |
SID131413665
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| Structure |
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| Formula |
C28H38N2O7S2
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| Molecular Weight |
578.753
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| Canonical SMILES |
COc1cccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(C4=CCCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@H]2C)c1
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| InChI |
InChI=1S/C28H38N2O7S2/c1-20-17-30(21(2)19-31)39(34,35)28-14-13-23(22-9-6-5-7-10-22)15-26(28)37-27(20)18-29(3)38(32,33)25-12-8-11-24(16-25)36-4/h8-9,11-16,20-21,27,31H,5-7,10,17-19H2,1-4H3/t20-,21+,27+/m1/s1
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| InChIKey |
PIKMQEDGBFJLCE-BUEREQSYSA-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