General Information of the Compound
| Compound ID |
CP0853780
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| Compound Name |
N-{(S)-1-[4-(3-Dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-isonicotinamide
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| Structure |
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| Formula |
C22H30N4O2
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| Molecular Weight |
382.508
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccncc3)C2)cc1
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| InChI |
InChI=1S/C22H30N4O2/c1-25(2)13-3-15-28-21-6-4-18(5-7-21)16-26-14-10-20(17-26)24-22(27)19-8-11-23-12-9-19/h4-9,11-12,20H,3,10,13-17H2,1-2H3,(H,24,27)/t20-/m0/s1
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| InChIKey |
FQBSGBWFFYVWDA-FQEVSTJZSA-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