General Information of the Compound
| Compound ID |
CP0461037
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| Compound Name |
3-[(S)-3-(1H-Indol-3-yl)-2-methoxycarbonylamino-propionylmino]-propionic acid
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| Structure |
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| Formula |
C16H19N3O5
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| Molecular Weight |
333.344
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| Canonical SMILES |
COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C16H19N3O5/c1-24-16(23)19-13(15(22)17-7-6-14(20)21)8-10-9-18-12-5-3-2-4-11(10)12/h2-5,9,13,18H,6-8H2,1H3,(H,17,22)(H,19,23)(H,20,21)/t13-/m0/s1
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| InChIKey |
SLRARJLWNSLZEQ-ZDUSSCGKSA-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