General Information of the Compound
| Compound ID |
CP0544758
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| Compound Name |
US8618299, 17
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| Structure |
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| Formula |
C27H27N3O2
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| Molecular Weight |
425.532
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| Canonical SMILES |
Cn1c2CCN3CCCC3c2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C27H27N3O2/c1-28-23-12-14-29-13-5-8-24(29)27(23)22-10-9-20(16-25(22)28)30-15-11-21(17-26(30)31)32-18-19-6-3-2-4-7-19/h2-4,6-7,9-11,15-17,24H,5,8,12-14,18H2,1H3
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| InChIKey |
AIOLBXVVPXZRPR-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