General Information of the Compound
| Compound ID |
CP0451294
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| Compound Name |
2-Diphenylacetylamino-5-guanidino-pentanoic acid (5-hydroxy-indan-1-yl)-amide
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| Structure |
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| Formula |
C29H33N5O3
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| Molecular Weight |
499.615
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCc2cc(O)ccc12
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| InChI |
InChI=1S/C29H33N5O3/c30-29(31)32-17-7-12-25(27(36)33-24-16-13-21-18-22(35)14-15-23(21)24)34-28(37)26(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,14-15,18,24-26,35H,7,12-13,16-17H2,(H,33,36)(H,34,37)(H4,30,31,32)
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| InChIKey |
RBPMEBGHTHSYIG-UHFFFAOYSA-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