General Information of the Compound
| Compound ID |
CP0514452
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| Compound Name |
N,N-dimethyl-3-[3-[3-[(2-phenoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
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| Structure |
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| Formula |
C35H29N5O3
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| Molecular Weight |
567.649
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| Canonical SMILES |
CN(C)C(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccccc4Oc4ccccc4)c3)c2c1
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| InChI |
InChI=1S/C35H29N5O3/c1-40(2)34(41)25-12-8-10-23(18-25)26-20-29-30(22-37-33(29)36-21-26)24-11-9-13-27(19-24)38-35(42)39-31-16-6-7-17-32(31)43-28-14-4-3-5-15-28/h3-22H,1-2H3,(H,36,37)(H2,38,39,42)
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| InChIKey |
QNNYNPKEEYHFQJ-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