General Information of the Compound
| Compound ID |
CP0881283
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| Compound Name |
(R)-3-((1H-indol-3-yl)methyl)-N-(2-(2-methoxybenzylamino)ethyl)-4-(3,5-bis(trifluoromethyl)benzoyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C33H33F6N5O3
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| Molecular Weight |
661.647
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| Canonical SMILES |
COc1ccccc1CNCCNC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1
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| InChI |
InChI=1S/C33H33F6N5O3/c1-47-29-9-5-2-6-21(29)18-40-10-11-41-31(46)43-12-13-44(26(20-43)16-23-19-42-28-8-4-3-7-27(23)28)30(45)22-14-24(32(34,35)36)17-25(15-22)33(37,38)39/h2-9,14-15,17,19,26,40,42H,10-13,16,18,20H2,1H3,(H,41,46)/t26-/m1/s1
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| InChIKey |
ARDKXDPBRYTTRZ-AREMUKBSSA-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