General Information of the Compound
| Compound ID |
CP0460638
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| Compound Name |
US9586948, Example 37
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| Structure |
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| Formula |
C27H36N8O2
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| Molecular Weight |
504.639
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| Canonical SMILES |
CN(C)CCCCCNC(=O)c1nn(C)cc1NC(=O)c1cccc(n1)-c1ccnc(NCC2CC2)c1
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| InChI |
InChI=1S/C27H36N8O2/c1-34(2)15-6-4-5-13-29-27(37)25-23(18-35(3)33-25)32-26(36)22-9-7-8-21(31-22)20-12-14-28-24(16-20)30-17-19-10-11-19/h7-9,12,14,16,18-19H,4-6,10-11,13,15,17H2,1-3H3,(H,28,30)(H,29,37)(H,32,36)
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| InChIKey |
FVTHPBDCWNKUGH-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