General Information of the Compound
| Compound ID |
CP0853189
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| Compound Name |
3,4-Dichloro-N-((S)-1-{(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-ylcarbamoyl}-3-methyl-butyl)-benzamide
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| Structure |
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| Formula |
C29H40Cl2N4O3
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| Molecular Weight |
563.57
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCN(Cc2ccc(OCCCN(C)C)cc2)C1
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| InChI |
InChI=1S/C29H40Cl2N4O3/c1-20(2)16-27(33-28(36)22-8-11-25(30)26(31)17-22)29(37)32-23-12-14-35(19-23)18-21-6-9-24(10-7-21)38-15-5-13-34(3)4/h6-11,17,20,23,27H,5,12-16,18-19H2,1-4H3,(H,32,37)(H,33,36)/t23-,27-/m0/s1
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| InChIKey |
VVUROZYJZFCFFO-HOFKKMOUSA-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