General Information of the Compound
| Compound ID |
CP0861387
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| Compound Name |
4-((6-(1H-pyrazol-1-yl)pyridin-3-yl)methyl)-N-((1S,2S)-2-hydroxycyclohexyl)-1-methoxy-2-naphthamide
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| Structure |
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| Formula |
C27H28N4O3
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| Molecular Weight |
456.546
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| Canonical SMILES |
COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-n3cccn3)nc2)c2ccccc12
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| InChI |
InChI=1S/C27H28N4O3/c1-34-26-21-8-3-2-7-20(21)19(15-18-11-12-25(28-17-18)31-14-6-13-29-31)16-22(26)27(33)30-23-9-4-5-10-24(23)32/h2-3,6-8,11-14,16-17,23-24,32H,4-5,9-10,15H2,1H3,(H,30,33)/t23-,24-/m0/s1
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| InChIKey |
LCBWGNVXKRCQQH-ZEQRLZLVSA-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