General Information of the Compound
| Compound ID |
CP0891430
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| Compound Name |
SID24835896
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| Structure |
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| Formula |
C26H25N3O7S
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| Molecular Weight |
523.567
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| Canonical SMILES |
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
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| InChI |
InChI=1S/C26H25N3O7S/c30-24(27-12-14-28(15-13-27)25(31)23-9-4-16-35-23)18-36-26(32)20-6-3-7-21(17-20)37(33,34)29-11-10-19-5-1-2-8-22(19)29/h1-9,16-17H,10-15,18H2
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| InChIKey |
IPBNMGPFZGMRCI-UHFFFAOYSA-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