General Information of the Compound
| Compound ID |
CP0336493
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| Compound Name |
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-piperidin-1-ylbutanamide
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| Structure |
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| Formula |
C23H26BrN5O
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| Molecular Weight |
468.399
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3ccc(NC(=O)CCCN4CCCCC4)cc23)c1
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| InChI |
InChI=1S/C23H26BrN5O/c24-17-6-4-7-18(14-17)28-23-20-15-19(9-10-21(20)25-16-26-23)27-22(30)8-5-13-29-11-2-1-3-12-29/h4,6-7,9-10,14-16H,1-3,5,8,11-13H2,(H,27,30)(H,25,26,28)
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| InChIKey |
KLBYVSOKDTXAPK-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