General Information of the Compound
| Compound ID |
CP0219915
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| Compound Name |
(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionic acid 2-methoxy-benzyl ester
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| Structure |
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| Formula |
C24H28N2O5
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| Molecular Weight |
424.497
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| Canonical SMILES |
COc1ccccc1COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C24H28N2O5/c1-24(2,3)31-23(28)26-20(13-17-14-25-19-11-7-6-10-18(17)19)22(27)30-15-16-9-5-8-12-21(16)29-4/h5-12,14,20,25H,13,15H2,1-4H3,(H,26,28)/t20-/m0/s1
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| InChIKey |
VCMDLMHMVMHIKF-FQEVSTJZSA-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