General Information of the Compound
| Compound ID |
CP0251196
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| Compound Name |
5-[2-[4-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C36H47N5O2
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| Molecular Weight |
581.805
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| Canonical SMILES |
CC(C)Cc1ccc(cc1)C(C)C(=O)N1CCN(CC1)c1ccccc1-c1cncc(c1)C(=O)NCCCN1CCCC1
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| InChI |
InChI=1S/C36H47N5O2/c1-27(2)23-29-11-13-30(14-12-29)28(3)36(43)41-21-19-40(20-22-41)34-10-5-4-9-33(34)31-24-32(26-37-25-31)35(42)38-15-8-18-39-16-6-7-17-39/h4-5,9-14,24-28H,6-8,15-23H2,1-3H3,(H,38,42)
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| InChIKey |
UNPRJQIJMSHEIP-UHFFFAOYSA-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