General Information of the Compound
| Compound ID |
CP0132323
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| Compound Name |
8-(3,4-difluorophenyl)-10-methyl-2-oxa-4,5,11,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-6-amine
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| Structure |
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| Formula |
C14H11F2N5O
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| Molecular Weight |
303.272
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| Canonical SMILES |
Cc1n[nH]c2Oc3[nH]nc(N)c3C(c12)c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C14H11F2N5O/c1-5-9-10(6-2-3-7(15)8(16)4-6)11-12(17)19-21-14(11)22-13(9)20-18-5/h2-4,10H,1H3,(H,18,20)(H3,17,19,21)
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| InChIKey |
VJIRTJXCKSBRDG-UHFFFAOYSA-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