General Information of the Compound
| Compound ID |
CP0464755
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| Compound Name |
N-[3-[4-(7-bromo-1H-2,3-benzoxazin-4-yl)piperidin-1-yl]butyl]-3,5-dichloropyridine-4-carboxamide
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| Structure |
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| Formula |
C23H25BrCl2N4O2
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| Molecular Weight |
540.289
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C1=NOCc2cc(Br)ccc12
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| InChI |
InChI=1S/C23H25BrCl2N4O2/c1-14(4-7-28-23(31)21-19(25)11-27-12-20(21)26)30-8-5-15(6-9-30)22-18-3-2-17(24)10-16(18)13-32-29-22/h2-3,10-12,14-15H,4-9,13H2,1H3,(H,28,31)
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| InChIKey |
LZPAZFLZEUXWCJ-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