General Information of the Compound
| Compound ID |
CP0545256
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| Compound Name |
anthracen-9-ylmethyl 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 |
C36H33N3O3
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| Molecular Weight |
555.678
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| Canonical SMILES |
C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1c2ccccc2cc2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C36H33N3O3/c1-24(25-12-4-3-5-13-25)38-34(40)36(2,21-28-22-37-33-19-11-10-18-31(28)33)39-35(41)42-23-32-29-16-8-6-14-26(29)20-27-15-7-9-17-30(27)32/h3-20,22,24,37H,21,23H2,1-2H3,(H,38,40)(H,39,41)/t24-,36+/m0/s1
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| InChIKey |
FDRLKINZOIUIDP-XAIPSOGISA-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