General Information of the Compound
| Compound ID |
CP0457029
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| Compound Name |
N-[(2S)-5-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-4-(dimethylamino)butanamide
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| Structure |
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| Formula |
C27H29F6N3O2
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| Molecular Weight |
541.536
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| Canonical SMILES |
CN(C)CCCC(=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/C27H29F6N3O2/c1-36(2)11-5-8-25(38)35-23(14-18-16-34-22-7-4-3-6-21(18)22)24(37)10-9-17-12-19(26(28,29)30)15-20(13-17)27(31,32)33/h3-4,6-7,12-13,15-16,23,34H,5,8-11,14H2,1-2H3,(H,35,38)/t23-/m0/s1
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| InChIKey |
MUDKXWPCSGTKHJ-QHCPKHFHSA-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