General Information of the Compound
| Compound ID |
CP0389813
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| Compound Name |
methyl 4-[5-[[2-(1-adamantyl)acetyl]amino]quinolin-2-yl]benzoate
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| Structure |
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| Formula |
C29H30N2O3
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| Molecular Weight |
454.57
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| Canonical SMILES |
COC(=O)c1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1
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| InChI |
InChI=1S/C29H30N2O3/c1-34-28(33)22-7-5-21(6-8-22)24-10-9-23-25(30-24)3-2-4-26(23)31-27(32)17-29-14-18-11-19(15-29)13-20(12-18)16-29/h2-10,18-20H,11-17H2,1H3,(H,31,32)
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| InChIKey |
SQRYXCCCFWXTFF-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