General Information of the Compound
| Compound ID |
CP0241920
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| Compound Name |
4-[(dimethylamino)methyl]-N-[3-[6-(3-pyrrolidin-1-ylpropoxy)-1,3-benzoxazol-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C30H34N4O3
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| Molecular Weight |
498.627
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| Canonical SMILES |
CN(C)Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccc(OCCCN3CCCC3)cc2o1
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| InChI |
InChI=1S/C30H34N4O3/c1-33(2)21-22-9-11-23(12-10-22)29(35)31-25-8-5-7-24(19-25)30-32-27-14-13-26(20-28(27)37-30)36-18-6-17-34-15-3-4-16-34/h5,7-14,19-20H,3-4,6,15-18,21H2,1-2H3,(H,31,35)
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| InChIKey |
MYKNCJPLMJTHDR-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