General Information of the Compound
| Compound ID |
CP0439173
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| Compound Name |
(S)-N-(1-(3-fluoro-4-(piperidin-4-yloxy)phenethyl)pyrrolidin-3-yl)-3,4-dichlorobenzamide
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| Structure |
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| Formula |
C24H28Cl2FN3O2
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| Molecular Weight |
480.411
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| Canonical SMILES |
Fc1cc(CCN2CC[C@@H](C2)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC1CCNCC1
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| InChI |
InChI=1S/C24H28Cl2FN3O2/c25-20-3-2-17(14-21(20)26)24(31)29-18-8-12-30(15-18)11-7-16-1-4-23(22(27)13-16)32-19-5-9-28-10-6-19/h1-4,13-14,18-19,28H,5-12,15H2,(H,29,31)/t18-/m0/s1
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| InChIKey |
IRRVNEGGDLUGOL-SFHVURJKSA-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