General Information of the Compound
| Compound ID |
CP0883980
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| Compound Name |
(1S,6R,7S)-8-Benzoyl-4-(4-nitro-phenyl)-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione
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| Structure |
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| Formula |
C20H16N4O5
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| Molecular Weight |
392.371
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| Canonical SMILES |
O=C1[C@H]2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)N2C(=O)N1c1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C20H16N4O5/c25-18(12-4-2-1-3-5-12)21-11-15-10-16(21)17-19(26)23(20(27)22(15)17)13-6-8-14(9-7-13)24(28)29/h1-9,15-17H,10-11H2/t15-,16-,17+/m0/s1
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| InChIKey |
IDXBBCAFQDQEPO-YESZJQIVSA-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