General Information of the Compound
| Compound ID |
CP0499230
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| Compound Name |
methyl 3-[3,3-diphenylpropylcarbamoyl(2-morpholin-4-ylethyl)amino]benzoate
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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 |
COC(=O)c1cccc(c1)N(CCN1CCOCC1)C(=O)NCCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H35N3O4/c1-36-29(34)26-13-8-14-27(23-26)33(18-17-32-19-21-37-22-20-32)30(35)31-16-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,23,28H,15-22H2,1H3,(H,31,35)
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| InChIKey |
AUQKCFBAJJFPSI-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