General Information of the Compound
| Compound ID |
CP0285868
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| Compound Name |
(1R)-1-[3-[(1S,3S)-3-(2,2,2-trifluoroethylamino)cyclopentyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol
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| Structure |
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| Formula |
C17H20F3N5O
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| Molecular Weight |
367.375
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| Canonical SMILES |
C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](C1)NCC(F)(F)F
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| InChI |
InChI=1S/C17H20F3N5O/c1-9(26)16-24-13-7-22-15-12(4-5-21-15)14(13)25(16)11-3-2-10(6-11)23-8-17(18,19)20/h4-5,7,9-11,23,26H,2-3,6,8H2,1H3,(H,21,22)/t9-,10+,11+/m1/s1
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| InChIKey |
QEKANLQOSSFFGI-VWYCJHECSA-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