General Information of the Compound
| Compound ID |
CP0579136
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| Compound Name |
US11136312, Compound MM-I-53
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| Structure |
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| Formula |
C32H32N6O
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| Molecular Weight |
516.649
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| Canonical SMILES |
C(Cc1c[nH]cn1)Cn1c(CCc2c[nH]c3ccccc23)nnc1Cc1cccc(OCc2ccccc2)c1
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| InChI |
InChI=1S/C32H32N6O/c1-2-8-24(9-3-1)22-39-28-12-6-10-25(18-28)19-32-37-36-31(38(32)17-7-11-27-21-33-23-35-27)16-15-26-20-34-30-14-5-4-13-29(26)30/h1-6,8-10,12-14,18,20-21,23,34H,7,11,15-17,19,22H2,(H,33,35)
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| InChIKey |
CDLQIWBRSYXSBW-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