General Information of the Compound
| Compound ID |
CP0518060
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| Compound Name |
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-bromo-3-[(2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C18H19BrClN5O2
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| Molecular Weight |
452.74
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| Canonical SMILES |
Clc1ccccc1C(=O)Nc1[nH]nc(C(=O)N[C@@H]2CN3CCC2CC3)c1Br
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| InChI |
InChI=1S/C18H19BrClN5O2/c19-14-15(18(27)21-13-9-25-7-5-10(13)6-8-25)23-24-16(14)22-17(26)11-3-1-2-4-12(11)20/h1-4,10,13H,5-9H2,(H,21,27)(H2,22,23,24,26)/t13-/m1/s1
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| InChIKey |
RVSGAHUZHBKWPL-CYBMUJFWSA-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