General Information of the Compound
| Compound ID |
CP0523814
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| Compound Name |
(3,4-dimethylphenyl)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 |
C30H33N3O3
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| Molecular Weight |
483.612
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| Canonical SMILES |
C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccc(C)c(C)c1)c1ccccc1
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| InChI |
InChI=1S/C30H33N3O3/c1-20-14-15-23(16-21(20)2)19-36-29(35)33-30(4,17-25-18-31-27-13-9-8-12-26(25)27)28(34)32-22(3)24-10-6-5-7-11-24/h5-16,18,22,31H,17,19H2,1-4H3,(H,32,34)(H,33,35)/t22-,30+/m0/s1
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| InChIKey |
DPCYTDUQJLVHDB-SMSORMJASA-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