General Information of the Compound
| Compound ID |
CP0854587
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| Compound Name |
3-(4-(4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)benzyloxy)phenyl)hex-4-ynoic acid
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| Structure |
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| Formula |
C30H29NO4
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| Molecular Weight |
467.565
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| Canonical SMILES |
CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)NC3CCCc4ccccc43)cc2)cc1
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| InChI |
InChI=1S/C30H29NO4/c1-2-6-25(19-29(32)33)22-15-17-26(18-16-22)35-20-21-11-13-24(14-12-21)30(34)31-28-10-5-8-23-7-3-4-9-27(23)28/h3-4,7,9,11-18,25,28H,5,8,10,19-20H2,1H3,(H,31,34)(H,32,33)
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| InChIKey |
NSPKUWYYMSXUEV-UHFFFAOYSA-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