General Information of the Compound
| Compound ID |
CP0500666
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| Compound Name |
(2S)-methyl 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 |
C24H25ClFN3O4
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| Molecular Weight |
473.932
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| Canonical SMILES |
COC(=O)[C@H](C)NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H25ClFN3O4/c1-15(21(30)33-2)27-23(32)28-12-10-24(11-13-28)20(16-6-8-17(25)9-7-16)29(22(24)31)19-5-3-4-18(26)14-19/h3-9,14-15,20H,10-13H2,1-2H3,(H,27,32)/t15-,20?/m0/s1
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| InChIKey |
HGRBTPQIHHDMPF-OOJLDXBWSA-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