General Information of the Compound
| Compound ID |
CP0918726
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| Compound Name |
(6S)-tetrahydro-6-hydroxy-2-(4-nitro-1-naphthalenyl)-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
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| Structure |
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| Formula |
C16H13N3O5
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| Molecular Weight |
327.296
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| Canonical SMILES |
O=C1[C@H]2C[C@H](O)CN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12
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| InChI |
InChI=1S/C16H13N3O5/c20-9-7-14-15(21)18(16(22)17(14)8-9)12-5-6-13(19(23)24)11-4-2-1-3-10(11)12/h1-6,9,14,20H,7-8H2/t9-,14+/m0/s1
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| InChIKey |
KMNZKQMPKMHVAZ-LKFCYVNXSA-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: PT01486, Androgen receptor
Protein ID: PT00894, Androgen receptor