General Information of the Compound
| Compound ID |
CP0494760
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| Compound Name |
5-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-2-(pyrrolidin-1-ylmethyl)benzamide
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| Structure |
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| Formula |
C27H28ClN3O2
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| Molecular Weight |
461.993
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| Canonical SMILES |
NC(=O)c1cc(CCNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)ccc1CN1CCCC1
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| InChI |
InChI=1S/C27H28ClN3O2/c28-24-11-9-21(10-12-24)20-5-7-22(8-6-20)27(33)30-14-13-19-3-4-23(25(17-19)26(29)32)18-31-15-1-2-16-31/h3-12,17H,1-2,13-16,18H2,(H2,29,32)(H,30,33)
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| InChIKey |
OXFAUKJCJTYKTA-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