General Information of the Compound
| Compound ID |
CP0897703
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| Compound Name |
(1R,6S,7R)-4-(4-Nitro-phenyl)-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 |
C18H20N4O6
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| Molecular Weight |
388.38
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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-])cc3)C(=O)N21
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| InChI |
InChI=1S/C18H20N4O6/c1-18(2,3)28-17(25)19-9-12-8-13(19)14-15(23)21(16(24)20(12)14)10-4-6-11(7-5-10)22(26)27/h4-7,12-14H,8-9H2,1-3H3/t12-,13-,14+/m1/s1
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| InChIKey |
UZDXVIXXGVGNFG-MCIONIFRSA-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