General Information of the Compound
| Compound ID |
CP0444417
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| Compound Name |
(2R)-2-[[5-(5-chloro-2-methylphenyl)furan-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Structure |
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| Formula |
C18H21ClN4O4
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| Molecular Weight |
392.843
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| Canonical SMILES |
Cc1ccc(Cl)cc1-c1ccc(o1)C(=O)N[C@H](CCCN=C(N)N)C(O)=O
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| InChI |
InChI=1S/C18H21ClN4O4/c1-10-4-5-11(19)9-12(10)14-6-7-15(27-14)16(24)23-13(17(25)26)3-2-8-22-18(20)21/h4-7,9,13H,2-3,8H2,1H3,(H,23,24)(H,25,26)(H4,20,21,22)/t13-/m1/s1
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| InChIKey |
AGBGPYUVINQNMB-CYBMUJFWSA-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