General Information of the Compound
| Compound ID |
CP0496734
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| Compound Name |
(2R)-3-[[4-[[9-tert-butyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]-1,3-diazaspiro[5.5]undecan-1-yl]methyl]benzoyl]amino]-2-hydroxypropanoic acid
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| Structure |
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| Formula |
C31H38F3N3O6
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| Molecular Weight |
605.654
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| Canonical SMILES |
CC(C)(C)C1CCC2(CC1)CCN(C(=O)N2Cc1ccc(cc1)C(=O)NC[C@@H](O)C(O)=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C31H38F3N3O6/c1-29(2,3)22-12-14-30(15-13-22)16-17-36(23-8-10-24(11-9-23)43-31(32,33)34)28(42)37(30)19-20-4-6-21(7-5-20)26(39)35-18-25(38)27(40)41/h4-11,22,25,38H,12-19H2,1-3H3,(H,35,39)(H,40,41)/t22?,25-,30?/m1/s1
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| InChIKey |
VEZFHBRVVUVDEY-OHGCLVLYSA-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