General Information of the Compound
| Compound ID |
CP0467443
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| Compound Name |
(2R,3R)-methyl 2-(1-(4-fluorophenyl)-2-isopropyl-2,7-diazaspiro[3.5]nonane-7-carboxamido)-3-methylpentanoate
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| Structure |
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| Formula |
C24H36FN3O3
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| Molecular Weight |
433.568
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)N1CCC2(CN(C(C)C)C2c2ccc(F)cc2)CC1)C(=O)OC
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| InChI |
InChI=1S/C24H36FN3O3/c1-6-17(4)20(22(29)31-5)26-23(30)27-13-11-24(12-14-27)15-28(16(2)3)21(24)18-7-9-19(25)10-8-18/h7-10,16-17,20-21H,6,11-15H2,1-5H3,(H,26,30)/t17-,20-,21?/m0/s1
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| InChIKey |
BVNMUWNXRBKUDC-LTGDSAQFSA-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