General Information of the Compound
| Compound ID |
CP0514673
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| Compound Name |
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(tetrahydro-2H-pyran-3-ylamino)cyclopentanecarboxamide
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| Structure |
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| Formula |
C23H30F6N2O2
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| Molecular Weight |
480.493
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCCOC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H30F6N2O2/c1-14(2)21(6-5-18(11-21)31-19-4-3-7-33-13-19)20(32)30-12-15-8-16(22(24,25)26)10-17(9-15)23(27,28)29/h8-10,14,18-19,31H,3-7,11-13H2,1-2H3,(H,30,32)/t18-,19?,21+/m1/s1
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| InChIKey |
SXZRMNRXSVRGOA-DRPMKMPGSA-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