General Information of the Compound
| Compound ID |
CP0512631
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| Compound Name |
10-(4-methoxy-2-methylphenyl)-N-pentan-3-yl-11-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
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| Structure |
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| Formula |
C23H27F3N4O
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| Molecular Weight |
432.49
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| Canonical SMILES |
CCC(CC)Nc1c2CCCc2nc2c(c(nn12)C(F)(F)F)-c1ccc(OC)cc1C
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| InChI |
InChI=1S/C23H27F3N4O/c1-5-14(6-2)27-21-17-8-7-9-18(17)28-22-19(20(23(24,25)26)29-30(21)22)16-11-10-15(31-4)12-13(16)3/h10-12,14,27H,5-9H2,1-4H3
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| InChIKey |
NDQMQRNFYIBMAK-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