General Information of the Compound
| Compound ID |
CP0872441
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| Compound Name |
SID85806897
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| Structure |
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| Formula |
C36H41N3O6S
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| Molecular Weight |
643.806
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1
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| InChI |
InChI=1S/C36H41N3O6S/c1-25-13-19-31(20-14-25)46(42,43)37-33-12-8-11-32-35(33)45-34(26(2)21-39(36(32)41)27(3)24-40)23-38(4)22-28-15-17-30(18-16-28)44-29-9-6-5-7-10-29/h5-20,26-27,34,37,40H,21-24H2,1-4H3/t26-,27+,34-/m0/s1
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| InChIKey |
RPRLDAPZKHIQPO-MZXMJASYSA-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