General Information of the Compound
| Compound ID |
CP0505156
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| Compound Name |
3-{3-[3-(3-Biphenyl-2-yl-ureido)-phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-N,N-dimethyl-benzamide
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| Structure |
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| Formula |
C35H29N5O2
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| Molecular Weight |
551.65
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| Canonical SMILES |
CN(C)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4-c4ccccc4)c3)c2c1
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| InChI |
InChI=1S/C35H29N5O2/c1-40(2)34(41)26-14-8-12-24(18-26)27-20-30-31(22-37-33(30)36-21-27)25-13-9-15-28(19-25)38-35(42)39-32-17-7-6-16-29(32)23-10-4-3-5-11-23/h3-22H,1-2H3,(H,36,37)(H2,38,39,42)
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| InChIKey |
NDLRLLMXSURIPN-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