General Information of the Compound
| Compound ID |
CP0528192
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| Compound Name |
(2S)-5-(diaminomethylideneamino)-2-[[(2R)-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
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| Structure |
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| Formula |
C20H32N8O4
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| Molecular Weight |
448.528
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C20H32N8O4/c21-19(22)25-10-4-8-14(27-16(29)12-13-6-2-1-3-7-13)17(30)28-15(18(31)32)9-5-11-26-20(23)24/h1-3,6-7,14-15H,4-5,8-12H2,(H,27,29)(H,28,30)(H,31,32)(H4,21,22,25)(H4,23,24,26)/t14-,15+/m1/s1
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| InChIKey |
DNNZOASBXRUJOV-CABCVRRESA-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