General Information of the Compound
| Compound ID |
CP0884813
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| Compound Name |
SID131461767
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| Structure |
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| Formula |
C27H30N2O5S
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| Molecular Weight |
494.613
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| Canonical SMILES |
COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccc(OC)cc2)[C@@H](CO)N3C)cc1
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| InChI |
InChI=1S/C27H30N2O5S/c1-28-25-13-6-19(18-4-7-20(33-2)8-5-18)16-24(25)27-23(26(28)17-30)14-15-29(27)35(31,32)22-11-9-21(34-3)10-12-22/h4-13,16,23,26-27,30H,14-15,17H2,1-3H3/t23-,26+,27-/m0/s1
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| InChIKey |
SUDFFDSFYCBQMQ-RNJDCESWSA-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