General Information of the Compound
| Compound ID |
CP0186958
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| Compound Name |
4-[[(2R)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]benzamide
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| Structure |
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| Formula |
C23H20ClN3O3
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| Molecular Weight |
421.884
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| Canonical SMILES |
NC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C23H20ClN3O3/c24-18-10-6-17(7-11-18)22(29)27-20(14-15-4-2-1-3-5-15)23(30)26-19-12-8-16(9-13-19)21(25)28/h1-13,20H,14H2,(H2,25,28)(H,26,30)(H,27,29)/t20-/m1/s1
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| InChIKey |
RODNKZSOMPELAT-HXUWFJFHSA-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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