General Information of the Compound
| Compound ID |
CP0533301
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| Compound Name |
(2S,4S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-fluoropyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C19H19ClF2N2O2
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| Molecular Weight |
380.822
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| Canonical SMILES |
NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1Cl
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| InChI |
InChI=1S/C19H19ClF2N2O2/c20-17-8-16(26-11-12-2-1-3-14(21)6-12)5-4-13(17)9-24-10-15(22)7-18(24)19(23)25/h1-6,8,15,18H,7,9-11H2,(H2,23,25)/t15-,18-/m0/s1
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| InChIKey |
PUXCFUQZYKFDBS-YJBOKZPZSA-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B