General Information of the Compound
| Compound ID |
CP0281457
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| Compound Name |
arylpyrazole, 18
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| Structure |
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| Formula |
C20H21Cl2N5
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| Molecular Weight |
402.329
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| Canonical SMILES |
Cc1c(CNC2CCCC2)nn(c1-c1ccc(Cl)nc1)-c1ncccc1Cl
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| InChI |
InChI=1S/C20H21Cl2N5/c1-13-17(12-24-15-5-2-3-6-15)26-27(20-16(21)7-4-10-23-20)19(13)14-8-9-18(22)25-11-14/h4,7-11,15,24H,2-3,5-6,12H2,1H3
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| InChIKey |
DLZARUDZVNDGHQ-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