General Information of the Compound
| Compound ID |
CP0408506
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| Compound Name |
4-aminobutyl N-[(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C21H28N6O3
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| Molecular Weight |
412.494
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| Canonical SMILES |
NCCCCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cnc[nH]1
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| InChI |
InChI=1S/C21H28N6O3/c22-8-3-4-10-30-21(29)27-19(20(28)24-9-7-16-13-23-14-26-16)11-15-12-25-18-6-2-1-5-17(15)18/h1-2,5-6,12-14,19,25H,3-4,7-11,22H2,(H,23,26)(H,24,28)(H,27,29)/t19-/m0/s1
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| InChIKey |
FFJQEWTUFSJPIY-IBGZPJMESA-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