General Information of the Compound
| Compound ID |
CP0382829
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| Compound Name |
(2S,3S)-isopropyl 2-(1-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamido)-3-methylpentanoate
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| Structure |
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| Formula |
C29H35ClFN3O4
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| Molecular Weight |
544.067
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)C(=O)OC(C)C
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| InChI |
InChI=1S/C29H35ClFN3O4/c1-5-19(4)24(26(35)38-18(2)3)32-28(37)33-15-13-29(14-16-33)25(20-9-11-21(30)12-10-20)34(27(29)36)23-8-6-7-22(31)17-23/h6-12,17-19,24-25H,5,13-16H2,1-4H3,(H,32,37)/t19-,24-,25?/m0/s1
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| InChIKey |
SLDLOBNDIBIKTN-XIJCICFPSA-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