General Information of the Compound
| Compound ID |
CP0475631
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| Compound Name |
2-[(2-{[hydroxy(4-phenyl-butyl)phosphoryl]amino}-3-phenyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid
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| Structure |
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| Formula |
C30H34N3O5P
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| Molecular Weight |
547.592
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| Canonical SMILES |
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NP(O)(=O)CCCCc1ccccc1
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| InChI |
InChI=1S/C30H34N3O5P/c34-29(32-28(30(35)36)20-24-21-31-26-17-8-7-16-25(24)26)27(19-23-14-5-2-6-15-23)33-39(37,38)18-10-9-13-22-11-3-1-4-12-22/h1-8,11-12,14-17,21,27-28,31H,9-10,13,18-20H2,(H,32,34)(H,35,36)(H2,33,37,38)/t27-,28-/m0/s1
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| InChIKey |
PLEATAYBAASAIW-NSOVKSMOSA-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