General Information of the Compound
| Compound ID |
CP0574643
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| Compound Name |
2-[(4-bromophenyl)carbamoylamino]-3-cyclohexyl-N-pyridin-3-ylpropanamide
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| Formula |
C21H25BrN4O2
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| Molecular Weight |
445.361
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| Canonical SMILES |
Brc1ccc(NC(=O)NC(CC2CCCCC2)C(=O)Nc2cccnc2)cc1
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| InChI |
InChI=1S/C21H25BrN4O2/c22-16-8-10-17(11-9-16)25-21(28)26-19(13-15-5-2-1-3-6-15)20(27)24-18-7-4-12-23-14-18/h4,7-12,14-15,19H,1-3,5-6,13H2,(H,24,27)(H2,25,26,28)
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| InChIKey |
OOOJIVGNHWWVKV-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