General Information of the Compound
| Compound ID |
CP0345484
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| Compound Name |
N-[[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]acetamide
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| Structure |
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| Formula |
C18H21F3N6O
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| Molecular Weight |
394.401
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| Canonical SMILES |
CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1
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| InChI |
InChI=1S/C18H21F3N6O/c1-11(28)23-9-15-25-14-8-24-17-13(2-5-22-17)16(14)27(15)12-3-6-26(7-4-12)10-18(19,20)21/h2,5,8,12H,3-4,6-7,9-10H2,1H3,(H,22,24)(H,23,28)
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| InChIKey |
RACXBGIDSNEZCG-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