General Information of the Compound
| Compound ID |
CP0960852
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| Compound Name |
US9314468, Table 7, Compound 69
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| Structure |
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| Formula |
C25H27N5O
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| Molecular Weight |
413.525
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| Canonical SMILES |
NC(=O)CCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21
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| InChI |
InChI=1S/C25H27N5O/c26-23(31)11-5-15-30(22-10-3-6-17-7-4-13-28-24(17)22)16-21-25-19(12-14-27-21)18-8-1-2-9-20(18)29-25/h1-2,4,7-9,12-14,22,29H,3,5-6,10-11,15-16H2,(H2,26,31)/t22-/m0/s1
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| InChIKey |
VRHSPERIAHGGED-QFIPXVFZSA-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