General Information of the Compound
| Compound ID |
CP0854862
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| Compound Name |
3,5-Dichloro-N-{(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-benzamide
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| Structure |
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| Formula |
C23H29Cl2N3O2
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| Molecular Weight |
450.41
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)C2)cc1
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| InChI |
InChI=1S/C23H29Cl2N3O2/c1-27(2)9-3-11-30-22-6-4-17(5-7-22)15-28-10-8-21(16-28)26-23(29)18-12-19(24)14-20(25)13-18/h4-7,12-14,21H,3,8-11,15-16H2,1-2H3,(H,26,29)/t21-/m0/s1
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| InChIKey |
DTHRPPGXFXBBKW-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