General Information of the Compound
| Compound ID |
CP0564132
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| Compound Name |
2-[4-[(3-chloro-N-pentanoylanilino)methyl]phenyl]benzoic acid
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| Formula |
C25H24ClNO3
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| Molecular Weight |
421.924
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| Canonical SMILES |
CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1C(O)=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H24ClNO3/c1-2-3-11-24(28)27(21-8-6-7-20(26)16-21)17-18-12-14-19(15-13-18)22-9-4-5-10-23(22)25(29)30/h4-10,12-16H,2-3,11,17H2,1H3,(H,29,30)
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| InChIKey |
NOQZDHLBEFIBTA-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