General Information of the Compound
| Compound ID |
CP0918943
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| Compound Name |
4-[1-(4-tert-Butyl-benzyl)-piperidin-4-ylamino]-6-chloro-chromen-2-one
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| Formula |
C25H29ClN2O2
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| Molecular Weight |
424.972
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| Canonical SMILES |
CC(C)(C)c1ccc(CN2CCC(/N=c3\cc(O)oc4ccc(Cl)cc34)CC2)cc1
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| InChI |
InChI=1S/C25H29ClN2O2/c1-25(2,3)18-6-4-17(5-7-18)16-28-12-10-20(11-13-28)27-22-15-24(29)30-23-9-8-19(26)14-21(22)23/h4-9,14-15,20,29H,10-13,16H2,1-3H3/b27-22+
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| InChIKey |
LCUDDISCOUEHMA-HPNDGRJYSA-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