General Information of the Compound
| Compound ID |
CP0847646
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| Compound Name |
N-((S)-4-Amino-1-{(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-ylcarbamoyl}-butyl)-3,4-dichloro-benzamide
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| Structure |
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| Formula |
C28H39Cl2N5O3
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| Molecular Weight |
564.558
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)[C@H](CCCN)NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1
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| InChI |
InChI=1S/C28H39Cl2N5O3/c1-34(2)14-4-16-38-23-9-6-20(7-10-23)18-35-15-12-22(19-35)32-28(37)26(5-3-13-31)33-27(36)21-8-11-24(29)25(30)17-21/h6-11,17,22,26H,3-5,12-16,18-19,31H2,1-2H3,(H,32,37)(H,33,36)/t22-,26-/m0/s1
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| InChIKey |
PMIHBFXPSXCKFB-NVQXNPDNSA-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