General Information of the Compound
| Compound ID |
CP0473591
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| Compound Name |
(2R,3R)-methyl 2-(1-(4-chlorophenyl)-2-methyl-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamido)-3-methylpentanoate
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| Structure |
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| Formula |
C22H30ClN3O4
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| Molecular Weight |
435.952
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(N(C)C2=O)c1ccc(Cl)cc1)C(=O)OC
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| InChI |
InChI=1S/C22H30ClN3O4/c1-5-14(2)17(19(27)30-4)24-21(29)26-12-10-22(11-13-26)18(25(3)20(22)28)15-6-8-16(23)9-7-15/h6-9,14,17-18H,5,10-13H2,1-4H3,(H,24,29)/t14-,17-,18?/m0/s1
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| InChIKey |
WZWCQAIOXPCSJI-LNJPMGEZSA-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