General Information of the Compound
| Compound ID |
CP0384344
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| Compound Name |
1-(1-(4-(trifluoromethyl)benzyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea
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| Structure |
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| Formula |
C29H26F3N3O2
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| Molecular Weight |
505.54
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| Canonical SMILES |
COc1ccc2C(Cc3ccc(cc3)C(F)(F)F)C(CCc2c1)NC(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C29H26F3N3O2/c1-37-22-10-11-23-19(16-22)7-12-27(25(23)15-18-5-8-21(9-6-18)29(30,31)32)35-28(36)34-26-4-2-3-20-17-33-14-13-24(20)26/h2-6,8-11,13-14,16-17,25,27H,7,12,15H2,1H3,(H2,34,35,36)
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| InChIKey |
CMULUUOLGHSJSP-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