General Information of the Compound
| Compound ID |
CP0501135
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| Compound Name |
(3-chlorophenyl)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 |
C28H28ClN3O3
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| Molecular Weight |
490.003
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| Canonical SMILES |
C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cccc(Cl)c1)c1ccccc1
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| InChI |
InChI=1S/C28H28ClN3O3/c1-19(21-10-4-3-5-11-21)31-26(33)28(2,16-22-17-30-25-14-7-6-13-24(22)25)32-27(34)35-18-20-9-8-12-23(29)15-20/h3-15,17,19,30H,16,18H2,1-2H3,(H,31,33)(H,32,34)/t19-,28+/m0/s1
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| InChIKey |
STAJLHIUAJDIGV-HMILPKGGSA-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