General Information of the Compound
| Compound ID |
CP0525711
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| Compound Name |
N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-4-methylbenzamide
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| Structure |
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| Formula |
C21H24ClN3O2
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| Molecular Weight |
385.895
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C21H24ClN3O2/c1-15-2-6-17(7-3-15)21(27)23-12-20(26)24-19-10-11-25(14-19)13-16-4-8-18(22)9-5-16/h2-9,19H,10-14H2,1H3,(H,23,27)(H,24,26)/t19-/m1/s1
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| InChIKey |
QDQIMFROIBVZCR-LJQANCHMSA-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