General Information of the Compound
| Compound ID |
CP0484378
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| Compound Name |
3-(1-(1-(4-cyclohexylphenyl)-3-(4-(trifluoromethoxy)phenyl)ureido)-2,3-dihydro-1H-indene-5-carboxamido)propanoic acid
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| Structure |
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| Formula |
C33H34F3N3O5
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| Molecular Weight |
609.645
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc2C(CCc2c1)N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(cc1)C1CCCCC1
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| InChI |
InChI=1S/C33H34F3N3O5/c34-33(35,36)44-27-14-10-25(11-15-27)38-32(43)39(26-12-6-22(7-13-26)21-4-2-1-3-5-21)29-17-9-23-20-24(8-16-28(23)29)31(42)37-19-18-30(40)41/h6-8,10-16,20-21,29H,1-5,9,17-19H2,(H,37,42)(H,38,43)(H,40,41)
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| InChIKey |
HXCAQOXKJBHAOG-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