General Information of the Compound
| Compound ID |
CP0102144
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| Compound Name |
6-(5-Chloro-thiophen-2-yl)-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C29H33ClN2O2S
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| Molecular Weight |
509.115
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(Cl)s1
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| InChI |
InChI=1S/C29H33ClN2O2S/c1-2-3-4-9-32-17-23(28(34)31-29-14-18-10-19(15-29)12-20(11-18)16-29)27(33)22-13-21(5-6-24(22)32)25-7-8-26(30)35-25/h5-8,13,17-20H,2-4,9-12,14-16H2,1H3,(H,31,34)
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| InChIKey |
KTWRQMGUCGZIHO-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