General Information of the Compound
| Compound ID |
CP0074097
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| Compound Name |
N-[2-[[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C27H34N4O4
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| Molecular Weight |
478.593
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(NC(=O)C4CCC4)ccc3o2)ccc1OC
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| InChI |
InChI=1S/C27H34N4O4/c1-3-34-25-15-18(7-9-24(25)33-2)17-31-13-11-20(12-14-31)29-27-30-22-16-21(8-10-23(22)35-27)28-26(32)19-5-4-6-19/h7-10,15-16,19-20H,3-6,11-14,17H2,1-2H3,(H,28,32)(H,29,30)
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| InChIKey |
YTIWDXUZCLTCIF-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