General Information of the Compound
| Compound ID |
CP0485364
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| Compound Name |
1-(isoquinolin-5-yl)-3-(6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl)urea
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| Structure |
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
COc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C27H26N4O2/c1-33-21-8-9-22-19(15-21)7-10-26(24(22)14-18-4-3-12-28-16-18)31-27(32)30-25-6-2-5-20-17-29-13-11-23(20)25/h2-6,8-9,11-13,15-17,24,26H,7,10,14H2,1H3,(H2,30,31,32)
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| InChIKey |
LNMXHEJXRPUGBT-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