General Information of the Compound
| Compound ID |
CP0480312
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| Compound Name |
3-(1-(1,3-bis(4-(trifluoromethoxy)phenyl)ureido)-2,3-dihydro-1H-indene-5-carboxamido)propanoic acid
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| Structure |
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| Formula |
C28H23F6N3O6
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| Molecular Weight |
611.495
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc2C(CCc2c1)N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C28H23F6N3O6/c29-27(30,31)42-20-7-3-18(4-8-20)36-26(41)37(19-5-9-21(10-6-19)43-28(32,33)34)23-12-2-16-15-17(1-11-22(16)23)25(40)35-14-13-24(38)39/h1,3-11,15,23H,2,12-14H2,(H,35,40)(H,36,41)(H,38,39)
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| InChIKey |
KUADILUHMQRNHV-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