General Information of the Compound
| Compound ID |
CP0435882
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| Compound Name |
(2R)-5-(diaminomethylideneamino)-2-[[5-(3-ethoxyphenyl)furan-2-carbonyl]amino]pentanoic acid
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| Structure |
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| Formula |
C19H24N4O5
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| Molecular Weight |
388.424
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| Canonical SMILES |
CCOc1cccc(c1)-c1ccc(o1)C(=O)N[C@H](CCCN=C(N)N)C(O)=O
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| InChI |
InChI=1S/C19H24N4O5/c1-2-27-13-6-3-5-12(11-13)15-8-9-16(28-15)17(24)23-14(18(25)26)7-4-10-22-19(20)21/h3,5-6,8-9,11,14H,2,4,7,10H2,1H3,(H,23,24)(H,25,26)(H4,20,21,22)/t14-/m1/s1
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| InChIKey |
SHKAGBVGDWCHGH-CQSZACIVSA-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