General Information of the Compound
| Compound ID |
CP0257873
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| Compound Name |
methyl 3-[4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]naphthalen-1-yl]benzoate
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| Structure |
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| Formula |
C29H25NO3
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| Molecular Weight |
435.523
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| Canonical SMILES |
COC(=O)c1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C29H25NO3/c1-33-29(32)21-11-7-10-20(16-21)24-15-14-22(23-12-5-6-13-25(23)24)18-30-28(31)27-17-26(27)19-8-3-2-4-9-19/h2-16,26-27H,17-18H2,1H3,(H,30,31)/t26-,27+/m0/s1
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| InChIKey |
FXIVNROGZYEUOU-RRPNLBNLSA-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