General Information of the Compound
| Compound ID |
CP0856617
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| Compound Name |
SID131461915
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| Structure |
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| Formula |
C28H36N2O4S
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| Molecular Weight |
496.673
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| Canonical SMILES |
COc1cccc(S(=O)(=O)N2CCCCN3[C@@H](CO)[C@@H](c4ccc(C#CCC(C)C)cc4)[C@@H]3C2)c1
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| InChI |
InChI=1S/C28H36N2O4S/c1-21(2)8-6-9-22-12-14-23(15-13-22)28-26-19-29(16-4-5-17-30(26)27(28)20-31)35(32,33)25-11-7-10-24(18-25)34-3/h7,10-15,18,21,26-28,31H,4-5,8,16-17,19-20H2,1-3H3/t26-,27-,28-/m0/s1
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| InChIKey |
WJFNNSWULALGOK-KCHLEUMXSA-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