General Information of the Compound
| Compound ID |
CP0578698
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| Compound Name |
US9056859, 177
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| Structure |
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| Formula |
C26H29N7O3
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| Molecular Weight |
487.564
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| Canonical SMILES |
C[C@H]1Cc2cc(CCN3CCN(CC3)C(=O)C3CCc4nc(ccc34)-n3cnnn3)ccc2C(=O)O1
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| InChI |
InChI=1S/C26H29N7O3/c1-17-14-19-15-18(2-3-20(19)26(35)36-17)8-9-31-10-12-32(13-11-31)25(34)22-4-6-23-21(22)5-7-24(28-23)33-16-27-29-30-33/h2-3,5,7,15-17,22H,4,6,8-14H2,1H3/t17-,22?/m0/s1
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| InChIKey |
USJYUQVZKANXEJ-LBOXEOMUSA-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