General Information of the Compound
| Compound ID |
CP0923478
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| Compound Name |
SID99356675
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| Structure |
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| Formula |
C23H31ClN4O
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| Molecular Weight |
414.981
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| Canonical SMILES |
O[C@H]1CN(CC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C[C@@H]1n1cc(C2CC2)nn1
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| InChI |
InChI=1S/C23H31ClN4O/c24-19-10-8-18(9-11-19)21-12-22(28-14-20(25-26-28)17-6-7-17)23(29)15-27(21)13-16-4-2-1-3-5-16/h8-11,14,16-17,21-23,29H,1-7,12-13,15H2/t21-,22+,23+/m1/s1
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| InChIKey |
FRBFSROABWDIGK-VJBWXMMDSA-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