General Information of the Compound
| Compound ID |
CP0565446
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| Compound Name |
(2S)-2-[(4-bromophenyl)carbamoylamino]-4-methyl-N-pyridin-3-ylpentanamide
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| Formula |
C18H21BrN4O2
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| Molecular Weight |
405.296
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)Nc1cccnc1
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| InChI |
InChI=1S/C18H21BrN4O2/c1-12(2)10-16(17(24)21-15-4-3-9-20-11-15)23-18(25)22-14-7-5-13(19)6-8-14/h3-9,11-12,16H,10H2,1-2H3,(H,21,24)(H2,22,23,25)/t16-/m0/s1
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| InChIKey |
HBPIIEKLPQMRBU-INIZCTEOSA-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