General Information of the Compound
| Compound ID |
CP0940735
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| Compound Name |
SID104170642
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| Structure |
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| Formula |
C35H47N3O8S2
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| Molecular Weight |
701.908
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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)S(=O)(=O)c2ccccc2)OCCCC[C@H](C)O3)cc1
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| InChI |
InChI=1S/C35H47N3O8S2/c1-25-14-17-30(18-15-25)47(41,42)36-29-16-19-33-32(21-29)35(40)38(27(3)24-39)22-26(2)34(45-20-10-9-11-28(4)46-33)23-37(5)48(43,44)31-12-7-6-8-13-31/h6-8,12-19,21,26-28,34,36,39H,9-11,20,22-24H2,1-5H3/t26-,27-,28+,34+/m1/s1
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| InChIKey |
MAVYHSKQCPJJQP-UYICUSKSSA-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