General Information of the Compound
| Compound ID |
CP0010451
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| Compound Name |
US9777008, Compound 199
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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 |
Cn1cnc2ccc(cc12)-c1cncc(NCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C25H27N5O/c1-29-17-28-24-7-6-19(11-25(24)29)21-10-22(13-26-12-21)27-14-23(31)16-30-9-8-18-4-2-3-5-20(18)15-30/h2-7,10-13,17,23,27,31H,8-9,14-16H2,1H3
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| InChIKey |
GARKXRKJYNIBNE-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