General Information of the Compound
| Compound ID |
CP0547341
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| Compound Name |
4-[4-[1-[4-[1-(6-acetamidohexyl)triazol-4-yl]butyl]piperidin-4-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C43H48F3N5O3
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| Molecular Weight |
739.883
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| Canonical SMILES |
CC(=O)NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1
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| InChI |
InChI=1S/C43H48F3N5O3/c1-30(52)47-21-5-2-3-6-23-51-29-39(48-49-51)8-4-7-22-50-24-19-33(20-25-50)31-9-11-34(12-10-31)41-28-37(42(53)54)27-36-26-35(15-18-40(36)41)32-13-16-38(17-14-32)43(44,45)46/h9-18,26-29,33H,2-8,19-25H2,1H3,(H,47,52)(H,53,54)
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| InChIKey |
ZWDYLKUUHWNLRT-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