General Information of the Compound
| Compound ID |
CP0886463
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| Compound Name |
SID131435469
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| Structure |
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| Formula |
C27H34N2O5S
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| Molecular Weight |
498.645
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)N3CCC(Cc4ccccc4)CC3)O[C@@H]2CO)cc1
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| InChI |
InChI=1S/C27H34N2O5S/c1-20-7-10-24(11-8-20)35(32,33)28-25-12-9-23(34-26(25)19-30)18-27(31)29-15-13-22(14-16-29)17-21-5-3-2-4-6-21/h2-12,22-23,25-26,28,30H,13-19H2,1H3/t23-,25+,26+/m0/s1
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| InChIKey |
BTASCBMIIFGVQJ-SKBVVQJISA-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