General Information of the Compound
| Compound ID |
CP0533458
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| Compound Name |
(R)-3-(5-Trifluoromethyl-[1,3,4]thiadiazol-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester
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| Formula |
C19H24F3N5O3S
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| Molecular Weight |
459.494
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| Canonical SMILES |
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1nnc(s1)C(F)(F)F)C(C3)C2
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| InChI |
InChI=1S/C19H24F3N5O3S/c20-19(21,22)15-25-26-16(31-15)24-12-1-2-27(8-12)17(29)30-13-10-3-9-4-11(13)7-18(5-9,6-10)14(23)28/h9-13H,1-8H2,(H2,23,28)(H,24,26)/t9?,10?,11?,12-,13-,18-/m1/s1
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| InChIKey |
JEIBHMSJAGIVPF-LKNGDYOVSA-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