General Information of the Compound
| Compound ID |
CP0574121
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| Compound Name |
US9493474, 14
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| Structure |
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| Formula |
C26H29N7O4
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| Molecular Weight |
503.563
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(C1)CCCN(C2)C(=O)c1ccc(nc1)-n1cnnn1
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| InChI |
InChI=1S/C26H29N7O4/c1-17-19(4-5-20-21(17)13-37-25(20)36)22(34)12-31-10-8-26(14-31)7-2-9-32(15-26)24(35)18-3-6-23(27-11-18)33-16-28-29-30-33/h3-6,11,16,22,34H,2,7-10,12-15H2,1H3/t22-,26?/m0/s1
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| InChIKey |
ONILRHXUYGQNLH-CHQVSRGASA-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