General Information of the Compound
| Compound ID |
CP0538461
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| Compound Name |
3-[(S)-2-(4-Amino-butoxycarbonylamino)-3-(1H-indol-3-yl)-propionylamino]-propionic acid
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| Structure |
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| Formula |
C19H26N4O5
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| Molecular Weight |
390.44
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| Canonical SMILES |
NCCCCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C19H26N4O5/c20-8-3-4-10-28-19(27)23-16(18(26)21-9-7-17(24)25)11-13-12-22-15-6-2-1-5-14(13)15/h1-2,5-6,12,16,22H,3-4,7-11,20H2,(H,21,26)(H,23,27)(H,24,25)/t16-/m0/s1
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| InChIKey |
IGMCDZMFXYOHGY-INIZCTEOSA-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