General Information of the Compound
| Compound ID |
CP0448059
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| Compound Name |
3-(1H-indol-3-yl)-N-(2-phenylethyl)-2-[[(2-pyridin-3-ylacetyl)amino]carbamoylamino]propanamide
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| Structure |
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| Formula |
C27H28N6O3
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| Molecular Weight |
484.56
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| Canonical SMILES |
O=C(Cc1cccnc1)NNC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C27H28N6O3/c34-25(15-20-9-6-13-28-17-20)32-33-27(36)31-24(16-21-18-30-23-11-5-4-10-22(21)23)26(35)29-14-12-19-7-2-1-3-8-19/h1-11,13,17-18,24,30H,12,14-16H2,(H,29,35)(H,32,34)(H2,31,33,36)
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| InChIKey |
GJNHOUWECRMHAT-UHFFFAOYSA-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