General Information of the Compound
| Compound ID |
CP0876096
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| Compound Name |
4-(2,3'-bipyridin-5-ylmethyl)-N-((1S,2S)-2-hydroxycyclohexyl)-1-methoxy-2-naphthamide
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| Structure |
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| Formula |
C29H29N3O3
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| Molecular Weight |
467.569
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| Canonical SMILES |
COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-c3cccnc3)nc2)c2ccccc12
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| InChI |
InChI=1S/C29H29N3O3/c1-35-28-23-9-3-2-8-22(23)21(16-24(28)29(34)32-26-10-4-5-11-27(26)33)15-19-12-13-25(31-17-19)20-7-6-14-30-18-20/h2-3,6-9,12-14,16-18,26-27,33H,4-5,10-11,15H2,1H3,(H,32,34)/t26-,27-/m0/s1
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| InChIKey |
ISDCTOKXPVNNRD-SVBPBHIXSA-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