General Information of the Compound
| Compound ID |
CP0916495
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| Compound Name |
N-{(S)-1-[4-(3-Dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-3,4-dimethoxy-benzamide
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| Structure |
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| Formula |
C25H35N3O4
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| Molecular Weight |
441.572
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| Canonical SMILES |
COc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(OCCCN(C)C)cc3)C2)cc1OC
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| InChI |
InChI=1S/C25H35N3O4/c1-27(2)13-5-15-32-22-9-6-19(7-10-22)17-28-14-12-21(18-28)26-25(29)20-8-11-23(30-3)24(16-20)31-4/h6-11,16,21H,5,12-15,17-18H2,1-4H3,(H,26,29)/t21-/m0/s1
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| InChIKey |
OTVOCVOBLQFMNX-NRFANRHFSA-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