General Information of the Compound
| Compound ID |
CP0065658
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| Compound Name |
US8530648, 28
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| Structure |
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| Formula |
C26H27N5O
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| Molecular Weight |
425.536
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| Canonical SMILES |
O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1
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| InChI |
InChI=1S/C26H27N5O/c32-25-26(10-5-13-31(25)18-19-16-27-21-7-2-1-6-20(19)21)11-14-30(15-12-26)24-17-28-22-8-3-4-9-23(22)29-24/h1-4,6-9,16-17,27H,5,10-15,18H2
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| InChIKey |
VPARAVFFNOQZEG-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