General Information of the Compound
| Compound ID |
CP0395080
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| Compound Name |
3-[(S)-3-(1H-Indol-3-yl)-2-isopropoxycarbonylamino-propionylamino]-propionic acid
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| Structure |
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| Formula |
C18H23N3O5
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| Molecular Weight |
361.398
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| Canonical SMILES |
CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C18H23N3O5/c1-11(2)26-18(25)21-15(17(24)19-8-7-16(22)23)9-12-10-20-14-6-4-3-5-13(12)14/h3-6,10-11,15,20H,7-9H2,1-2H3,(H,19,24)(H,21,25)(H,22,23)/t15-/m0/s1
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| InChIKey |
DNSGEZVQKQUAHK-HNNXBMFYSA-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