General Information of the Compound
| Compound ID |
CP0388256
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| Compound Name |
(2S)-methyl 3-tert-butoxy-2-(1-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamido)propanoate
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| Structure |
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| Formula |
C28H33ClFN3O5
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| Molecular Weight |
546.039
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| Canonical SMILES |
COC(=O)[C@H](COC(C)(C)C)NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H33ClFN3O5/c1-27(2,3)38-17-22(24(34)37-4)31-26(36)32-14-12-28(13-15-32)23(18-8-10-19(29)11-9-18)33(25(28)35)21-7-5-6-20(30)16-21/h5-11,16,22-23H,12-15,17H2,1-4H3,(H,31,36)/t22-,23?/m0/s1
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| InChIKey |
SJSJRZPIYCNNKM-NQCNTLBGSA-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