General Information of the Compound
| Compound ID |
CP0517271
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| Compound Name |
N-[2-methyl-6-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]pyridin-3-yl]-2-phenylacetamide
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| Structure |
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| Formula |
C23H30N4O
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| Molecular Weight |
378.52
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| Canonical SMILES |
C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)Cc2ccccc2)c(C)n1
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| InChI |
InChI=1S/C23H30N4O/c1-17-7-6-13-27(17)20-12-14-26(16-20)22-11-10-21(18(2)24-22)25-23(28)15-19-8-4-3-5-9-19/h3-5,8-11,17,20H,6-7,12-16H2,1-2H3,(H,25,28)/t17-,20-/m0/s1
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| InChIKey |
ZVRLMFUFFXGESN-PXNSSMCTSA-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