General Information of the Compound
| Compound ID |
CP0861388
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| Compound Name |
4-((4-cyano-4-(pyridin-2-yl)piperidin-1-yl)methyl)-N-((1S,2S)-2-hydroxycyclohexyl)-1-methoxy-2-naphthamide
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| Structure |
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| Formula |
C30H34N4O3
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| Molecular Weight |
498.627
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| Canonical SMILES |
COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(CN2CCC(C#N)(c3ccccn3)CC2)c2ccccc12
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| InChI |
InChI=1S/C30H34N4O3/c1-37-28-23-9-3-2-8-22(23)21(18-24(28)29(36)33-25-10-4-5-11-26(25)35)19-34-16-13-30(20-31,14-17-34)27-12-6-7-15-32-27/h2-3,6-9,12,15,18,25-26,35H,4-5,10-11,13-14,16-17,19H2,1H3,(H,33,36)/t25-,26-/m0/s1
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| InChIKey |
OQRQUUPWUGLIMP-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