General Information of the Compound
| Compound ID |
CP0547176
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| Compound Name |
1-[(2S)-3-(4-cyanophenyl)-1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C24H20FN5O2
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| Molecular Weight |
429.455
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| Canonical SMILES |
Fc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N2CCc3cccnc23)cc1
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| InChI |
InChI=1S/C24H20FN5O2/c25-19-7-9-20(10-8-19)28-24(32)29-21(14-16-3-5-17(15-26)6-4-16)23(31)30-13-11-18-2-1-12-27-22(18)30/h1-10,12,21H,11,13-14H2,(H2,28,29,32)/t21-/m0/s1
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| InChIKey |
VBPDOLGPLMMJIB-NRFANRHFSA-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
Protein ID: PT02015, fMet-Leu-Phe receptor
Protein ID: PT02590, N-formyl peptide receptor 2