General Information of the Compound
| Compound ID |
CP0492072
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| Compound Name |
3-{4-[8-tert-Butyl-2-oxo-3-(3-trifluoromethoxy-phenyl)-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-benzoylamino}-propionic acid
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| Structure |
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| Formula |
C30H36F3N3O5
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| Molecular Weight |
575.628
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| Canonical SMILES |
CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)NCCC(O)=O)c2cccc(OC(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C30H36F3N3O5/c1-28(2,3)22-11-14-29(15-12-22)19-35(23-5-4-6-24(17-23)41-30(31,32)33)27(40)36(29)18-20-7-9-21(10-8-20)26(39)34-16-13-25(37)38/h4-10,17,22H,11-16,18-19H2,1-3H3,(H,34,39)(H,37,38)
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| InChIKey |
SCUZBXVRWJQMGD-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