General Information of the Compound
| Compound ID |
CP0906228
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| Compound Name |
SID131415229
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| Structure |
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| Formula |
C27H36N2O4S
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| Molecular Weight |
484.662
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| Canonical SMILES |
CCCC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O
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| InChI |
InChI=1S/C27H36N2O4S/c1-5-6-8-11-23-14-15-27-25(16-23)33-26(19-28(4)18-24-12-9-7-10-13-24)21(2)17-29(22(3)20-30)34(27,31)32/h7,9-10,12-16,21-22,26,30H,5-6,17-20H2,1-4H3/t21-,22+,26+/m0/s1
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| InChIKey |
ADEWQMCOYJIEMS-VVZHRXSXSA-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