General Information of the Compound
| Compound ID |
CP0054397
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| Compound Name |
1-But-3-enyl-6-furan-2-yl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C28H30N2O3
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| Molecular Weight |
442.559
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| Canonical SMILES |
C=CCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1
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| InChI |
InChI=1S/C28H30N2O3/c1-2-3-8-30-17-23(26(31)22-13-21(6-7-24(22)30)25-5-4-9-33-25)27(32)29-28-14-18-10-19(15-28)12-20(11-18)16-28/h2,4-7,9,13,17-20H,1,3,8,10-12,14-16H2,(H,29,32)
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| InChIKey |
OOZQCQPBSOEZBL-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