General Information of the Compound
| Compound ID |
CP0258815
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| Compound Name |
(S)-2-(2-(2,2-diphenylethoxy)acetamido)-5-guanidinopentanoic acid
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| Synonyms |
SB-290157
SB290157
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| Structure |
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| Formula |
C22H28N4O4
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| Molecular Weight |
412.49
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)COCC(c1ccccc1)c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C22H28N4O4/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1
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| InChIKey |
RRKKJYBCPXAJAO-IBGZPJMESA-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
Clinical Information about the Compound