General Information of the Compound
| Compound ID |
CP0450473
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| Compound Name |
N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C24H23N7O2
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| Molecular Weight |
441.495
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| Canonical SMILES |
O=C(NCC1CCC1)c1nccnc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
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| InChI |
InChI=1S/C24H23N7O2/c32-23(29-22-21(25-10-11-26-22)24(33)27-14-16-4-3-5-16)20-9-8-17(15-31-13-12-28-30-31)18-6-1-2-7-19(18)20/h1-2,6-13,16H,3-5,14-15H2,(H,27,33)(H,26,29,32)
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| InChIKey |
WGBXCFFEQOKHNE-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