General Information of the Compound
| Compound ID |
CP0944759
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| Compound Name |
SID131462790
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| Structure |
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| Formula |
C26H32N2O4S
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| Molecular Weight |
468.619
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| Canonical SMILES |
Cc1cccc(S(=O)(=O)N2CCCCN3[C@H](CO)[C@H](c4ccc(C#C[C@H](C)O)cc4)[C@H]3C2)c1
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| InChI |
InChI=1S/C26H32N2O4S/c1-19-6-5-7-23(16-19)33(31,32)27-14-3-4-15-28-24(17-27)26(25(28)18-29)22-12-10-21(11-13-22)9-8-20(2)30/h5-7,10-13,16,20,24-26,29-30H,3-4,14-15,17-18H2,1-2H3/t20-,24+,25+,26+/m0/s1
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| InChIKey |
HBBWEVIPKXHXRV-QGTUIOLUSA-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