General Information of the Compound
| Compound ID |
CP0926226
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| Compound Name |
US8993586, 114
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| Structure |
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| Formula |
C26H32N6O2
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| Molecular Weight |
460.582
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| Canonical SMILES |
Cc1n[nH]c2c(C)cc(C(=O)N3C4CCC3CC3(Cc5cn(C(C)(C)C)nc5C(=O)N3)C4)cc12
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| InChI |
InChI=1S/C26H32N6O2/c1-14-8-16(9-20-15(2)28-29-21(14)20)24(34)32-18-6-7-19(32)12-26(11-18)10-17-13-31(25(3,4)5)30-22(17)23(33)27-26/h8-9,13,18-19H,6-7,10-12H2,1-5H3,(H,27,33)(H,28,29)
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| InChIKey |
WHMJWAVNKJMDPE-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