General Information of the Compound
| Compound ID |
CP0501583
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| Compound Name |
1-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxo-N-((S)-1-phenylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
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| Structure |
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| Formula |
C29H29ClFN3O2
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| Molecular Weight |
506.021
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| Canonical SMILES |
CC[C@H](NC(=O)N1CCC2(CC1)C(N(C2=O)c1cccc(F)c1)c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C29H29ClFN3O2/c1-2-25(20-7-4-3-5-8-20)32-28(36)33-17-15-29(16-18-33)26(21-11-13-22(30)14-12-21)34(27(29)35)24-10-6-9-23(31)19-24/h3-14,19,25-26H,2,15-18H2,1H3,(H,32,36)/t25-,26?/m0/s1
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| InChIKey |
APKFLGPFPCGCNW-PMCHYTPCSA-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