General Information of the Compound
| Compound ID |
CP0170150
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| Compound Name |
(E)-5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C22H17N5O3S2
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| Molecular Weight |
463.544
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| Canonical SMILES |
ONC(=O)\C=C\c1ccc(s1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1
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| InChI |
InChI=1S/C22H17N5O3S2/c28-20(27-30)9-7-17-6-8-18(31-17)21(29)25-15-4-1-5-16(11-15)26-22-24-13-19(32-22)14-3-2-10-23-12-14/h1-13,30H,(H,24,26)(H,25,29)(H,27,28)/b9-7+
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| InChIKey |
IKGFSNOPTDDJGY-VQHVLOKHSA-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