General Information of the Compound
| Compound ID |
CP0920556
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| Compound Name |
SID99357063
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| Structure |
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| Formula |
C33H33F6N5O4
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| Molecular Weight |
677.646
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| Canonical SMILES |
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc5[nH]ccc45)c3)cc2C(F)(F)F)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C31H32F3N5O2.C2HF3O2/c1-3-38-13-15-39(16-14-38)19-22-9-10-23(18-26(22)31(32,33)34)36-29(40)21-8-7-20(2)28(17-21)37-30(41)25-5-4-6-27-24(25)11-12-35-27;3-2(4,5)1(6)7/h4-12,17-18,35H,3,13-16,19H2,1-2H3,(H,36,40)(H,37,41);(H,6,7)
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| InChIKey |
XVCDGSJMYIIFKN-UHFFFAOYSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1