General Information of the Compound
| Compound ID |
CP0855813
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| Compound Name |
(2S,6R)-4-(8-Hydroxy-quinolin-5-yl)-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione
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| Structure |
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| Formula |
C18H14N2O3
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| Molecular Weight |
306.321
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| Canonical SMILES |
O=C1[C@@H]2C3C=CC(C3)[C@@H]2C(=O)N1c1ccc(O)c2ncccc12
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| InChI |
InChI=1S/C18H14N2O3/c21-13-6-5-12(11-2-1-7-19-16(11)13)20-17(22)14-9-3-4-10(8-9)15(14)18(20)23/h1-7,9-10,14-15,21H,8H2/t9?,10?,14-,15+
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| InChIKey |
YCOJBJWTQPSPNW-PDPWUNHUSA-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
Protein ID: PT00894, Androgen receptor