General Information of the Compound
| Compound ID |
CP0893883
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| Compound Name |
SID99357061
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| Structure |
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| Formula |
C35H32F9N5O5
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| Molecular Weight |
773.653
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| Canonical SMILES |
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5cc(C(F)(F)F)ccc5c4O)c3)cc2C(F)(F)F)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C33H31F6N5O3.C2HF3O2/c1-3-43-10-12-44(13-11-43)18-21-6-8-23(16-26(21)33(37,38)39)41-30(46)20-5-4-19(2)27(14-20)42-31(47)25-17-40-28-15-22(32(34,35)36)7-9-24(28)29(25)45;3-2(4,5)1(6)7/h4-9,14-17H,3,10-13,18H2,1-2H3,(H,40,45)(H,41,46)(H,42,47);(H,6,7)
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| InChIKey |
NFXPDGXKVDFZQF-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