General Information of the Compound
| Compound ID |
CP0123505
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| Compound Name |
(S)-N1-(5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
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| Structure |
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| Formula |
C19H17F3N6S
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| Molecular Weight |
418.448
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| Canonical SMILES |
N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C19H17F3N6S/c20-19(21,22)14-4-1-11(2-5-14)7-15(23)10-24-18-28-27-17(29-18)12-3-6-16-13(8-12)9-25-26-16/h1-6,8-9,15H,7,10,23H2,(H,24,28)(H,25,26)/t15-/m0/s1
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| InChIKey |
BRTIFMBVAUCZIX-HNNXBMFYSA-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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