General Information of the Compound
| Compound ID |
CP0416902
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| Compound Name |
N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]-1,3,4-thiadiazol-2-amine
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| Structure |
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| Formula |
C20H18FN7S2
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| Molecular Weight |
439.545
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| Canonical SMILES |
Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2nncs2)n1)C1CCNCC1
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| InChI |
InChI=1S/C20H18FN7S2/c21-14-3-1-12(2-4-14)16-17(30-18(26-16)13-5-8-22-9-6-13)15-7-10-23-19(25-15)27-20-28-24-11-29-20/h1-4,7,10-11,13,22H,5-6,8-9H2,(H,23,25,27,28)
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| InChIKey |
GIASCJLVGROQGW-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