General Information of the Compound
| Compound ID |
CP0452217
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| Compound Name |
(2S)-3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
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| Structure |
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| Formula |
C20H18N6OS2
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| Molecular Weight |
422.539
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| Canonical SMILES |
O=C(Nc1nnc(s1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cscn1
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| InChI |
InChI=1S/C20H18N6OS2/c27-18(24-20-26-25-19(29-20)15-6-8-21-9-7-15)17(10-14-4-2-1-3-5-14)22-11-16-12-28-13-23-16/h1-9,12-13,17,22H,10-11H2,(H,24,26,27)/t17-/m0/s1
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| InChIKey |
GBRGXFKSEDHMJX-KRWDZBQOSA-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