General Information of the Compound
| Compound ID |
CP0129981
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| Compound Name |
(2S)-2-[(5-benzhydrylfuran-2-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
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| Structure |
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| Formula |
C24H26N4O4
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| Molecular Weight |
434.496
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)c1ccc(o1)C(c1ccccc1)c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C24H26N4O4/c25-24(26)27-15-7-12-18(23(30)31)28-22(29)20-14-13-19(32-20)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,13-14,18,21H,7,12,15H2,(H,28,29)(H,30,31)(H4,25,26,27)/t18-/m0/s1
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| InChIKey |
KQTJPESSNDKYIC-SFHVURJKSA-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