General Information of the Compound
| Compound ID |
CP0540058
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| Compound Name |
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]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 |
C34H40N4O5
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| Molecular Weight |
584.717
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| Canonical SMILES |
C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccccc1
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| InChI |
InChI=1S/C34H40N4O5/c1-23(26-11-7-6-8-12-26)37-30(39)34(5,19-27-21-35-29-14-10-9-13-28(27)29)38-32(41)42-22-25-17-15-24(16-18-25)20-36-31(40)43-33(2,3)4/h6-18,21,23,35H,19-20,22H2,1-5H3,(H,36,40)(H,37,39)(H,38,41)/t23-,34+/m0/s1
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| InChIKey |
UEGZTLOHEMEPKH-OHWKKVTOSA-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