General Information of the Compound
| Compound ID |
CP0492500
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| Compound Name |
3-[[4-[(2S)-3-[5-chloro-1-[3-(trifluoromethyl)phenyl]indol-2-yl]-2-(cyclopropylmethyl)-3-oxopropyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H28ClF3N2O4
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| Molecular Weight |
597.033
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(C[C@H](CC2CC2)C(=O)c2cc3cc(Cl)ccc3n2-c2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C32H28ClF3N2O4/c33-25-10-11-27-22(16-25)17-28(38(27)26-3-1-2-24(18-26)32(34,35)36)30(41)23(14-19-4-5-19)15-20-6-8-21(9-7-20)31(42)37-13-12-29(39)40/h1-3,6-11,16-19,23H,4-5,12-15H2,(H,37,42)(H,39,40)/t23-/m0/s1
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| InChIKey |
YOFHXKXENHFFJZ-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