General Information of the Compound
| Compound ID |
CP0437071
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| Compound Name |
(2R)-2-[(4-benzhydrylbenzoyl)amino]-5-(diaminomethylideneamino)pentanoic acid
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| Structure |
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| Formula |
C26H28N4O3
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| Molecular Weight |
444.535
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| Canonical SMILES |
NC(N)=NCCC[C@@H](NC(=O)c1ccc(cc1)C(c1ccccc1)c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C26H28N4O3/c27-26(28)29-17-7-12-22(25(32)33)30-24(31)21-15-13-20(14-16-21)23(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-16,22-23H,7,12,17H2,(H,30,31)(H,32,33)(H4,27,28,29)/t22-/m1/s1
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| InChIKey |
OUXMSYHZKGJHMD-JOCHJYFZSA-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