General Information of the Compound
| Compound ID |
CP0427832
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| Compound Name |
N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-fluorobenzamide
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| Structure |
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| Formula |
C20H21ClFN3O2
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| Molecular Weight |
389.858
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| Canonical SMILES |
Fc1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C20H21ClFN3O2/c21-16-6-4-14(5-7-16)12-25-9-8-18(13-25)24-19(26)11-23-20(27)15-2-1-3-17(22)10-15/h1-7,10,18H,8-9,11-13H2,(H,23,27)(H,24,26)/t18-/m1/s1
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| InChIKey |
WBBOGBYWDGJAHL-GOSISDBHSA-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