General Information of the Compound
| Compound ID |
CP0412906
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| Compound Name |
1-(6-chloro-1-(cyanomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C22H19ClN4O
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| Molecular Weight |
390.874
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| Canonical SMILES |
Clc1ccc2C(CC#N)C(CCc2c1)NC(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C22H19ClN4O/c23-16-5-6-17-14(12-16)4-7-21(19(17)8-10-24)27-22(28)26-20-3-1-2-15-13-25-11-9-18(15)20/h1-3,5-6,9,11-13,19,21H,4,7-8H2,(H2,26,27,28)
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| InChIKey |
CQLVRVGGQWQYDB-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