General Information of the Compound
| Compound ID |
CP0925810
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| Compound Name |
SID121285482
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| Structure |
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| Formula |
C29H33N7O2
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| Molecular Weight |
511.63
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| Canonical SMILES |
O=C1NCN(c2ccccc2)C12CCN(C(c1cc3ccccc3o1)c1nnnn1C1CCCCC1)CC2
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| InChI |
InChI=1S/C29H33N7O2/c37-28-29(35(20-30-28)22-10-3-1-4-11-22)15-17-34(18-16-29)26(25-19-21-9-7-8-14-24(21)38-25)27-31-32-33-36(27)23-12-5-2-6-13-23/h1,3-4,7-11,14,19,23,26H,2,5-6,12-13,15-18,20H2,(H,30,37)
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| InChIKey |
PNXMNPADARXSNM-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: PT06172, Mothers against decapentaplegic homolog 3