General Information of the Compound
| Compound ID |
CP0910023
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| Compound Name |
SID87349215
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| Structure |
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| Formula |
C37H48N4O4
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| Molecular Weight |
612.815
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| Canonical SMILES |
CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C
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| InChI |
InChI=1S/C37H48N4O4/c1-7-40(8-2)36(44)30-21-27(23-33(42)38-18-16-25(5)12-9-11-24(3)4)35(43)41-19-17-29-28-15-14-26(32-13-10-20-45-32)22-31(28)39-34(29)37(30,41)6/h10-11,13-16,20,22,27,30,39H,7-9,12,17-19,21,23H2,1-6H3,(H,38,42)/b25-16+/t27-,30-,37+/m1/s1
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| InChIKey |
BBIUDIXVWLDEGM-SLSJBYCXSA-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