General Information of the Compound
| Compound ID |
CP0480354
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| Compound Name |
5-amino-1-[C-(4-bromobenzoyl)-N-cyclopentylcarbonimidoyl]pyrazole-4-carbonitrile
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| Formula |
C17H16BrN5O
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| Molecular Weight |
386.253
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| Canonical SMILES |
Nc1c(cnn1\C(=N\C1CCCC1)C(=O)c1ccc(Br)cc1)C#N
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| InChI |
InChI=1S/C17H16BrN5O/c18-13-7-5-11(6-8-13)15(24)17(22-14-3-1-2-4-14)23-16(20)12(9-19)10-21-23/h5-8,10,14H,1-4,20H2/b22-17+
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| InChIKey |
LEBBALKAGDJISP-OQKWZONESA-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