General Information of the Compound
| Compound ID |
CP0501502
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| Compound Name |
(2R)-5-(diaminomethylideneamino)-2-[[5-(3-methylphenyl)furan-2-carbonyl]amino]pentanoic acid
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| Structure |
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| Formula |
C18H22N4O4
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| Molecular Weight |
358.398
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| Canonical SMILES |
Cc1cccc(c1)-c1ccc(o1)C(=O)N[C@H](CCCN=C(N)N)C(O)=O
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| InChI |
InChI=1S/C18H22N4O4/c1-11-4-2-5-12(10-11)14-7-8-15(26-14)16(23)22-13(17(24)25)6-3-9-21-18(19)20/h2,4-5,7-8,10,13H,3,6,9H2,1H3,(H,22,23)(H,24,25)(H4,19,20,21)/t13-/m1/s1
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| InChIKey |
UAVGAUOAFYALBF-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