General Information of the Compound
| Compound ID |
CP0515888
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| Compound Name |
(2R)-5-(diaminomethylideneamino)-2-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]amino]pentanoic acid
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| Structure |
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| Formula |
C17H18Cl2N4O4
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| Molecular Weight |
413.261
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| Canonical SMILES |
NC(N)=NCCC[C@@H](NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl)C(O)=O
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| InChI |
InChI=1S/C17H18Cl2N4O4/c18-9-3-4-11(19)10(8-9)13-5-6-14(27-13)15(24)23-12(16(25)26)2-1-7-22-17(20)21/h3-6,8,12H,1-2,7H2,(H,23,24)(H,25,26)(H4,20,21,22)/t12-/m1/s1
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| InChIKey |
BMFDMQDESJMJEZ-GFCCVEGCSA-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