General Information of the Compound
| Compound ID |
CP0926625
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| Compound Name |
SID125306647
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| Structure |
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| Formula |
C31H37N3O6
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| Molecular Weight |
547.652
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| Canonical SMILES |
COC(=O)[C@@]12C[C@@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2
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| InChI |
InChI=1S/C31H37N3O6/c1-30(2)12-11-25-31(21-30,29(38)39-3)19-23(27(36)34(25)20-22-8-5-4-6-9-22)18-26(35)32-13-15-33(16-14-32)28(37)24-10-7-17-40-24/h4-11,17,23H,12-16,18-21H2,1-3H3/t23-,31-/m1/s1
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| InChIKey |
AUAYPEJVMAJZFW-SLGOVJDISA-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