General Information of the Compound
| Compound ID |
CP0942777
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| Compound Name |
SID131462385
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| Structure |
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| Formula |
C27H34N2O3S
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| Molecular Weight |
466.647
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| Canonical SMILES |
CCCC#Cc1ccc([C@H]2[C@H]3CN(S(=O)(=O)Cc4ccccc4)CCCCN3[C@H]2CO)cc1
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| InChI |
InChI=1S/C27H34N2O3S/c1-2-3-5-10-22-13-15-24(16-14-22)27-25-19-28(17-8-9-18-29(25)26(27)20-30)33(31,32)21-23-11-6-4-7-12-23/h4,6-7,11-16,25-27,30H,2-3,8-9,17-21H2,1H3/t25-,26+,27+/m1/s1
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| InChIKey |
QBGGOYIGHSRUMN-PVHODMMVSA-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