General Information of the Compound
| Compound ID |
CP0883124
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| Compound Name |
N-((1S,2S)-2-hydroxycyclohexyl)-1-methoxy-4-((6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)methyl)-2-naphthamide
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| Structure |
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| Formula |
C28H30N4O3
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| Molecular Weight |
470.573
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| Canonical SMILES |
COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-c3cnn(C)c3)nc2)c2ccccc12
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| InChI |
InChI=1S/C28H30N4O3/c1-32-17-20(16-30-32)24-12-11-18(15-29-24)13-19-14-23(27(35-2)22-8-4-3-7-21(19)22)28(34)31-25-9-5-6-10-26(25)33/h3-4,7-8,11-12,14-17,25-26,33H,5-6,9-10,13H2,1-2H3,(H,31,34)/t25-,26-/m0/s1
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| InChIKey |
NNCNYJJGXSILJI-UIOOFZCWSA-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