General Information of the Compound
| Compound ID |
CP0553880
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| Compound Name |
N-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]oxane-4-carboxamide
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| Structure |
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| Formula |
C22H33N3O2
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| Molecular Weight |
371.525
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| Canonical SMILES |
C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)C2CCOCC2)c(C)c1
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| InChI |
InChI=1S/C22H33N3O2/c1-16-14-19(24-11-7-20(15-24)25-10-3-4-17(25)2)5-6-21(16)23-22(26)18-8-12-27-13-9-18/h5-6,14,17-18,20H,3-4,7-13,15H2,1-2H3,(H,23,26)/t17-,20+/m0/s1
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| InChIKey |
RIVHKFKXQNJYDP-FXAWDEMLSA-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