General Information of the Compound
| Compound ID |
CP0864576
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| Compound Name |
SID87542870
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| Structure |
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| Formula |
C36H55N3O6S
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| Molecular Weight |
657.918
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1
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| InChI |
InChI=1S/C36H55N3O6S/c1-26-14-17-32(18-15-26)46(42,43)37-31-16-19-34-33(21-31)36(41)39(28(3)25-40)22-27(2)35(44-20-10-9-11-29(4)45-34)24-38(5)23-30-12-7-6-8-13-30/h14-19,21,27-30,35,37,40H,6-13,20,22-25H2,1-5H3/t27-,28-,29-,35-/m1/s1
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| InChIKey |
YKADZYQVAJPHMU-ZYGBHLQISA-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