General Information of the Compound
| Compound ID |
CP0874437
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| Compound Name |
(1S,6S,7S)-4-(4-Nitro-naphthalen-1-yl)-3,5-dioxo-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]decane-8-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C22H22N4O6
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| Molecular Weight |
438.44
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| Canonical SMILES |
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)N21
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| InChI |
InChI=1S/C22H22N4O6/c1-22(2,3)32-21(29)23-11-12-10-17(23)18-19(27)25(20(28)24(12)18)15-8-9-16(26(30)31)14-7-5-4-6-13(14)15/h4-9,12,17-18H,10-11H2,1-3H3/t12-,17-,18-/m0/s1
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| InChIKey |
YBKVFRWWSSDFHO-IGNZVWTISA-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