General Information of the Compound
| Compound ID |
CP0427166
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| Compound Name |
(2R)-2-[[5-[bis(4-chlorophenyl)methyl]furan-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Structure |
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| Formula |
C24H24Cl2N4O4
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| Molecular Weight |
503.386
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| Canonical SMILES |
NC(N)=NCCC[C@@H](NC(=O)c1ccc(o1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C24H24Cl2N4O4/c25-16-7-3-14(4-8-16)21(15-5-9-17(26)10-6-15)19-11-12-20(34-19)22(31)30-18(23(32)33)2-1-13-29-24(27)28/h3-12,18,21H,1-2,13H2,(H,30,31)(H,32,33)(H4,27,28,29)/t18-/m1/s1
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| InChIKey |
LGKIITYELNYMBN-GOSISDBHSA-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