General Information of the Compound
| Compound ID |
CP0523221
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| Compound Name |
MLS001100779
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| Structure |
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| Formula |
C22H31N3O4
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| Molecular Weight |
401.507
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| Canonical SMILES |
CCc1cc(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)on1
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| InChI |
InChI=1S/C22H31N3O4/c1-5-17-13-19(29-24-17)14-23-22(26)16-6-7-20(27-4)21(12-16)28-18-8-10-25(11-9-18)15(2)3/h6-7,12-13,15,18H,5,8-11,14H2,1-4H3,(H,23,26)
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| InChIKey |
RDTZHYIKUCEPIX-UHFFFAOYSA-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