General Information of the Compound
| Compound ID |
CP0375416
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| Compound Name |
15-methyl-1-nitro-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide
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| Structure |
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| Formula |
C21H17N3O3S
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| Molecular Weight |
391.452
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| Canonical SMILES |
CC1(CC2c3ccccc3C1(c1ccccc21)[N+]([O-])=O)C(=O)Nc1nccs1
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| InChI |
InChI=1S/C21H17N3O3S/c1-20(18(25)23-19-22-10-11-28-19)12-15-13-6-2-4-8-16(13)21(20,24(26)27)17-9-5-3-7-14(15)17/h2-11,15H,12H2,1H3,(H,22,23,25)
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| InChIKey |
JWCDMSLSJHQHNS-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