General Information of the Compound
| Compound ID |
CP0375478
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| Compound Name |
(7-methoxy-1-benzofuran-2-yl)methyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamate
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| Structure |
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| Formula |
C31H31N3O5
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| Molecular Weight |
525.605
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| Canonical SMILES |
COc1cccc2cc(COC(=O)N[C@](C)(Cc3c[nH]c4ccccc34)C(=O)N[C@@H](C)c3ccccc3)oc12
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| InChI |
InChI=1S/C31H31N3O5/c1-20(21-10-5-4-6-11-21)33-29(35)31(2,17-23-18-32-26-14-8-7-13-25(23)26)34-30(36)38-19-24-16-22-12-9-15-27(37-3)28(22)39-24/h4-16,18,20,32H,17,19H2,1-3H3,(H,33,35)(H,34,36)/t20-,31+/m0/s1
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| InChIKey |
KUZZNTGRAPLLRA-PKHCJMHPSA-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