General Information of the Compound
| Compound ID |
CP0403944
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| Compound Name |
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C29H28N4O3
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| Molecular Weight |
480.568
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| Canonical SMILES |
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCc1ccccc1
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| InChI |
InChI=1S/C29H28N4O3/c34-28(30-15-14-21-17-31-25-12-6-4-10-23(21)25)27(16-22-18-32-26-13-7-5-11-24(22)26)33-29(35)36-19-20-8-2-1-3-9-20/h1-13,17-18,27,31-32H,14-16,19H2,(H,30,34)(H,33,35)/t27-/m0/s1
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| InChIKey |
IPZDYSAFCCVLJR-MHZLTWQESA-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