General Information of the Compound
| Compound ID |
CP0857097
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| Compound Name |
SID131433184
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| Structure |
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| Formula |
C30H35N3O4
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| Molecular Weight |
501.627
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| Canonical SMILES |
CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC[C@@H](C)NC[C@@H]1C
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| InChI |
InChI=1S/C30H35N3O4/c1-20-17-31-21(2)19-37-27-15-14-25(16-26(27)30(35)33(3)18-28(20)36-4)32-29(34)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-16,20-21,28,31H,17-19H2,1-4H3,(H,32,34)/t20-,21+,28-/m0/s1
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| InChIKey |
XGMSCYLPQZMHLL-GTNJKRJXSA-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