General Information of the Compound
| Compound ID |
CP0910141
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| Compound Name |
SID87349217
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| Structure |
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| Formula |
C35H37F3N4O4
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| Molecular Weight |
634.699
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| Canonical SMILES |
CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C
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| InChI |
InChI=1S/C35H37F3N4O4/c1-4-41(5-2)33(45)27-17-23(19-30(43)39-20-21-8-6-9-24(16-21)35(36,37)38)32(44)42-14-13-26-25-12-11-22(29-10-7-15-46-29)18-28(25)40-31(26)34(27,42)3/h6-12,15-16,18,23,27,40H,4-5,13-14,17,19-20H2,1-3H3,(H,39,43)/t23-,27-,34+/m1/s1
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| InChIKey |
ICQCYXIKVRRMJR-GYHLDHQBSA-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: PT06172, Mothers against decapentaplegic homolog 3