General Information of the Compound
| Compound ID |
CP0916660
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| Compound Name |
3,4-Dichloro-N-({(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-ylcarbamoyl}-methyl)-benzamide
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| Structure |
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| Formula |
C25H32Cl2N4O3
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| Molecular Weight |
507.462
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1
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| InChI |
InChI=1S/C25H32Cl2N4O3/c1-30(2)11-3-13-34-21-7-4-18(5-8-21)16-31-12-10-20(17-31)29-24(32)15-28-25(33)19-6-9-22(26)23(27)14-19/h4-9,14,20H,3,10-13,15-17H2,1-2H3,(H,28,33)(H,29,32)/t20-/m0/s1
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| InChIKey |
JWHACHFNEQIFPH-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