General Information of the Compound
| Compound ID |
CP0901877
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| Compound Name |
(1R,6R,7S)-4-(4-Nitro-naphthalen-1-yl)-2,4-diaza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione
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| Structure |
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| Formula |
C18H15N3O4
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| Molecular Weight |
337.335
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| Canonical SMILES |
O=C1[C@H]2[C@H]3CC[C@H](C3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12
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| InChI |
InChI=1S/C18H15N3O4/c22-17-16-10-5-6-11(9-10)19(16)18(23)20(17)14-7-8-15(21(24)25)13-4-2-1-3-12(13)14/h1-4,7-8,10-11,16H,5-6,9H2/t10-,11+,16+/m0/s1
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| InChIKey |
UFRUVBUFURRQGP-LYOVBCGYSA-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