General Information of the Compound
| Compound ID |
CP0907583
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| Compound Name |
SID87336924
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| Structure |
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| Formula |
C37H37ClF3N5O5
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| Molecular Weight |
724.18
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| Canonical SMILES |
CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1
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| InChI |
InChI=1S/C37H37ClF3N5O5/c1-2-36-28(34(49)44-12-14-45(15-13-44)35(50)30-7-4-16-51-30)18-23(19-31(47)42-21-22-5-3-6-24(17-22)37(39,40)41)33(48)46(36)11-10-26-27-20-25(38)8-9-29(27)43-32(26)36/h3-9,16-17,20,23,28,43H,2,10-15,18-19,21H2,1H3,(H,42,47)/t23-,28-,36+/m1/s1
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| InChIKey |
AJQGGOFYOSWXGI-IDIYRDGGSA-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