General Information of the Compound
| Compound ID |
CP0363629
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| Compound Name |
5-Dimethylamino-pentanoic acid [(S)-4-(3,5-bis-trifluoromethyl-phenyl)-1-(1H-indol-3-ylmethyl)-2-oxo-butyl]-amide
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| Structure |
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| Formula |
C28H31F6N3O2
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| Molecular Weight |
555.563
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| Canonical SMILES |
CN(C)CCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H31F6N3O2/c1-37(2)12-6-5-9-26(39)36-24(15-19-17-35-23-8-4-3-7-22(19)23)25(38)11-10-18-13-20(27(29,30)31)16-21(14-18)28(32,33)34/h3-4,7-8,13-14,16-17,24,35H,5-6,9-12,15H2,1-2H3,(H,36,39)/t24-/m0/s1
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| InChIKey |
ZJEJBRMLBWRVFN-DEOSSOPVSA-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