General Information of the Compound
| Compound ID |
CP0009819
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| Compound Name |
2-methyl-1,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrrole-3-carboxamide
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| Structure |
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| Formula |
C29H32N6O
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| Molecular Weight |
480.616
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| Canonical SMILES |
CC(CN1CCN(CC1)c1ncccn1)NC(=O)c1cc(-c2ccccc2)n(c1C)-c1ccccc1
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| InChI |
InChI=1S/C29H32N6O/c1-22(21-33-16-18-34(19-17-33)29-30-14-9-15-31-29)32-28(36)26-20-27(24-10-5-3-6-11-24)35(23(26)2)25-12-7-4-8-13-25/h3-15,20,22H,16-19,21H2,1-2H3,(H,32,36)
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| InChIKey |
VGTVHFWBAOOPBO-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