General Information of the Compound
| Compound ID |
CP0179891
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
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| Structure |
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
O=C(CNC(=O)c1c2CCCCc2nc2ccccc12)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C21H22N4O2/c22-12-14-6-5-11-25(14)19(26)13-23-21(27)20-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)20/h1,3,7,9,14H,2,4-6,8,10-11,13H2,(H,23,27)/t14-/m0/s1
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| InChIKey |
NSDWPMUKFKHERI-AWEZNQCLSA-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