General Information of the Compound
| Compound ID |
CP0871049
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| Compound Name |
(2R,6S)-4-(3,4-Dichloro-phenyl)-4-aza-tricyclo[5.2.2.0*2,6*]undec-8-ene-3,5-dione
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| Structure |
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| Formula |
C16H13Cl2NO2
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| Molecular Weight |
322.191
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| Canonical SMILES |
O=C1[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C16H13Cl2NO2/c17-11-6-5-10(7-12(11)18)19-15(20)13-8-1-2-9(4-3-8)14(13)16(19)21/h1-2,5-9,13-14H,3-4H2/t8?,9?,13-,14+
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| InChIKey |
NJBXUUQCPXNLGW-UGAPCYDPSA-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