General Information of the Compound
| Compound ID |
CP0436730
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| Compound Name |
[3-[(2-chloroacetyl)amino]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 |
C30H31ClN4O4
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| Molecular Weight |
547.055
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| Canonical SMILES |
C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cccc(NC(=O)CCl)c1)c1ccccc1
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| InChI |
InChI=1S/C30H31ClN4O4/c1-20(22-10-4-3-5-11-22)33-28(37)30(2,16-23-18-32-26-14-7-6-13-25(23)26)35-29(38)39-19-21-9-8-12-24(15-21)34-27(36)17-31/h3-15,18,20,32H,16-17,19H2,1-2H3,(H,33,37)(H,34,36)(H,35,38)/t20-,30+/m0/s1
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| InChIKey |
MBLYTRTVVBPGLQ-WENCNXQZSA-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