General Information of the Compound
| Compound ID |
CP0544333
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| Compound Name |
(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-ylamino)-1-propan-2-ylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C28H30F6N2O3
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| Molecular Weight |
556.547
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc3OCOc3cc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H30F6N2O3/c1-15(2)26(25(37)35-13-16-7-18(27(29,30)31)10-19(8-16)28(32,33)34)6-5-20(12-26)36-22-4-3-17-9-23-24(11-21(17)22)39-14-38-23/h7-11,15,20,22,36H,3-6,12-14H2,1-2H3,(H,35,37)/t20-,22?,26+/m1/s1
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| InChIKey |
QWHFPXRGLCTIKB-GVHMNUMSSA-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