General Information of the Compound
| Compound ID |
CP0395470
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| Compound Name |
N-[(E)-(3-methylcyclopentylidene)amino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C15H16N4O2S
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| Molecular Weight |
316.386
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| Canonical SMILES |
CC1CC\C(C1)=N/Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H16N4O2S/c1-10-2-5-12(8-10)17-18-15-16-14(9-22-15)11-3-6-13(7-4-11)19(20)21/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,16,18)/b17-12+
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| InChIKey |
TZGMJDZQJNZCNM-SFQUDFHCSA-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