General Information of the Compound
| Compound ID |
CP0513802
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| Compound Name |
1-[(4-bromophenyl)carbamoylamino]-N-(1,3-dimethylpyrazol-4-yl)cyclopentane-1-carboxamide
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| Formula |
C18H22BrN5O2
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| Molecular Weight |
420.311
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| Canonical SMILES |
Cc1nn(C)cc1NC(=O)C1(CCCC1)NC(=O)Nc1ccc(Br)cc1
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| InChI |
InChI=1S/C18H22BrN5O2/c1-12-15(11-24(2)23-12)21-16(25)18(9-3-4-10-18)22-17(26)20-14-7-5-13(19)6-8-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,21,25)(H2,20,22,26)
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| InChIKey |
XHNPNLAVXLTWBN-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