General Information of the Compound
| Compound ID |
CP0045703
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| Compound Name |
(S)-N1-(5-(1H-indazol-5-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
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| Structure |
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| Formula |
C20H18F3N5S
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| Molecular Weight |
417.46
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| Canonical SMILES |
N[C@H](CNc1ncc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H18F3N5S/c21-20(22,23)15-4-1-12(2-5-15)7-16(24)10-25-19-26-11-18(29-19)13-3-6-17-14(8-13)9-27-28-17/h1-6,8-9,11,16H,7,10,24H2,(H,25,26)(H,27,28)/t16-/m0/s1
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| InChIKey |
JEJKZRXWJBUNLT-INIZCTEOSA-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