General Information of the Compound
| Compound ID |
CP0489498
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| Compound Name |
N-[(1S)-3-[4-[4-[benzyl(propan-2-yl)amino]phenyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]propyl]cyclohexanecarboxamide
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| Structure |
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| Formula |
C37H47F3N4O
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| Molecular Weight |
620.804
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| Canonical SMILES |
CC(C)N(Cc1ccccc1)c1ccc(cc1)N1CCN(CC[C@H](NC(=O)C2CCCCC2)c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C37H47F3N4O/c1-28(2)44(27-29-9-5-3-6-10-29)34-19-17-33(18-20-34)43-25-23-42(24-26-43)22-21-35(41-36(45)31-11-7-4-8-12-31)30-13-15-32(16-14-30)37(38,39)40/h3,5-6,9-10,13-20,28,31,35H,4,7-8,11-12,21-27H2,1-2H3,(H,41,45)/t35-/m0/s1
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| InChIKey |
NXOZYOOITBBZJZ-DHUJRADRSA-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