General Information of the Compound
| Compound ID |
CP0969651
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| Compound Name |
US9314468, Table 7, Compound 16
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| Structure |
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| Formula |
C28H34N6O
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| Molecular Weight |
470.621
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| Canonical SMILES |
CN(C)C(=O)NCCCCN(Cc1nccc2c1[nH]c1ccccc12)C1CCCc2cccnc21
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| InChI |
InChI=1S/C28H34N6O/c1-33(2)28(35)31-15-5-6-18-34(25-13-7-9-20-10-8-16-30-26(20)25)19-24-27-22(14-17-29-24)21-11-3-4-12-23(21)32-27/h3-4,8,10-12,14,16-17,25,32H,5-7,9,13,15,18-19H2,1-2H3,(H,31,35)
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| InChIKey |
KROJIYTWVOVJCS-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