General Information of the Compound
| Compound ID |
CP0073845
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| Compound Name |
(S)-N1-(5-(isoquinolin-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
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| Structure |
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| Formula |
C22H19F3N4S
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| Molecular Weight |
428.483
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| Canonical SMILES |
N[C@H](CNc1ncc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H19F3N4S/c23-22(24,25)18-5-1-14(2-6-18)9-19(26)12-28-21-29-13-20(30-21)16-3-4-17-11-27-8-7-15(17)10-16/h1-8,10-11,13,19H,9,12,26H2,(H,28,29)/t19-/m0/s1
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| InChIKey |
RUQPVADMLMMXDR-IBGZPJMESA-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