General Information of the Compound
| Compound ID |
CP0477960
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| Compound Name |
US9314468, Table 7, Compound 50
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| Structure |
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| Formula |
C26H31N5
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| Molecular Weight |
413.569
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| Canonical SMILES |
Cn1c2ccccc2c2cc(CN(CCCCN)[C@H]3CCCc4cccnc34)ncc12
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| InChI |
InChI=1S/C26H31N5/c1-30-23-11-3-2-10-21(23)22-16-20(29-17-25(22)30)18-31(15-5-4-13-27)24-12-6-8-19-9-7-14-28-26(19)24/h2-3,7,9-11,14,16-17,24H,4-6,8,12-13,15,18,27H2,1H3/t24-/m0/s1
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| InChIKey |
FLQIPSJEOPVBPV-DEOSSOPVSA-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