General Information of the Compound
| Compound ID |
CP0186373
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| Compound Name |
5-(carbamoylamino)-3-{6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl}-1,2-thiazole-4-carboxamide
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| Structure |
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| Formula |
C16H18N4O2S2
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| Molecular Weight |
362.48
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| Canonical SMILES |
NC(=O)Nc1snc(SC2CCCCc3ccccc23)c1C(N)=O
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| InChI |
InChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2,(H2,17,21)(H3,18,19,22)
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| InChIKey |
ZATWYMPHUYHZKA-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