General Information of the Compound
| Compound ID |
CP0930550
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| Compound Name |
SID85805840
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| Structure |
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| Formula |
C35H41N5O5
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| Molecular Weight |
611.743
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| Canonical SMILES |
Cc1cc(C(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)n(C)n1
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| InChI |
InChI=1S/C35H41N5O5/c1-23-19-40(25(3)22-41)35(43)29-12-9-13-30(36-34(42)31-18-24(2)37-39(31)5)33(29)45-32(23)21-38(4)20-26-14-16-28(17-15-26)44-27-10-7-6-8-11-27/h6-18,23,25,32,41H,19-22H2,1-5H3,(H,36,42)/t23-,25+,32+/m0/s1
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| InChIKey |
UFJFLQUSVAOZJI-OQIQTSLJSA-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