General Information of the Compound
| Compound ID |
CP0871275
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| Compound Name |
(1S,6R,7S)-4-(4-Cyano-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 |
C19H20N4O4
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| Molecular Weight |
368.393
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| Canonical SMILES |
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)N21
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| InChI |
InChI=1S/C19H20N4O4/c1-19(2,3)27-18(26)21-10-13-8-14(21)15-16(24)23(17(25)22(13)15)12-6-4-11(9-20)5-7-12/h4-7,13-15H,8,10H2,1-3H3/t13-,14-,15+/m0/s1
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| InChIKey |
FOMUTDWPOSXQRQ-SOUVJXGZSA-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