General Information of the Compound
| Compound ID |
CP0861390
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| Compound Name |
4-((6-chloropyridin-3-yl)methyl)-2-((1S,2S)-2-hydroxycyclohexylcarbamoyl)naphthalen-1-yl acetate
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| Structure |
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| Formula |
C25H25ClN2O4
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| Molecular Weight |
452.938
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| Canonical SMILES |
CC(=O)Oc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(Cl)nc2)c2ccccc12
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| InChI |
InChI=1S/C25H25ClN2O4/c1-15(29)32-24-19-7-3-2-6-18(19)17(12-16-10-11-23(26)27-14-16)13-20(24)25(31)28-21-8-4-5-9-22(21)30/h2-3,6-7,10-11,13-14,21-22,30H,4-5,8-9,12H2,1H3,(H,28,31)/t21-,22-/m0/s1
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| InChIKey |
NSPCXERZCMHGBN-VXKWHMMOSA-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