General Information of the Compound
| Compound ID |
CP0903413
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| Compound Name |
SID90341249
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| Structure |
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| Formula |
C24H37BrN2O3
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| Molecular Weight |
481.475
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| Canonical SMILES |
C=CCc1ccccc1OCC(O)CN[C@]1(C)CCC[C@H](C(C)(C)NC(=O)CBr)C1
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| InChI |
InChI=1S/C24H37BrN2O3/c1-5-9-18-10-6-7-12-21(18)30-17-20(28)16-26-24(4)13-8-11-19(14-24)23(2,3)27-22(29)15-25/h5-7,10,12,19-20,26,28H,1,8-9,11,13-17H2,2-4H3,(H,27,29)/t19-,20?,24+/m0/s1
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| InChIKey |
RTYBGDQNUBLFSW-XIJGOZNCSA-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