General Information of the Compound
| Compound ID |
CP0464592
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| Compound Name |
(R)-4-bromo-5-(2-chlorobenzamido)-N-(2-oxoazepan-3-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C17H17BrClN5O3
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| Molecular Weight |
454.712
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| Canonical SMILES |
Clc1ccccc1C(=O)Nc1[nH]nc(C(=O)N[C@@H]2CCCCNC2=O)c1Br
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| InChI |
InChI=1S/C17H17BrClN5O3/c18-12-13(17(27)21-11-7-3-4-8-20-16(11)26)23-24-14(12)22-15(25)9-5-1-2-6-10(9)19/h1-2,5-6,11H,3-4,7-8H2,(H,20,26)(H,21,27)(H2,22,23,24,25)/t11-/m1/s1
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| InChIKey |
DKXRMHAJIUTZMU-LLVKDONJSA-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