General Information of the Compound
| Compound ID |
CP0522786
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| Compound Name |
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(3-propyltetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide
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| Structure |
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| Formula |
C26H36F6N2O2
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| Molecular Weight |
522.574
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| Canonical SMILES |
CCCC1COCCC1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H36F6N2O2/c1-4-5-18-15-36-9-7-22(18)34-21-6-8-24(13-21,16(2)3)23(35)33-14-17-10-19(25(27,28)29)12-20(11-17)26(30,31)32/h10-12,16,18,21-22,34H,4-9,13-15H2,1-3H3,(H,33,35)/t18?,21-,22?,24+/m1/s1
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| InChIKey |
GAWLGGFBSVEUMN-FRYXHQTHSA-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