General Information of the Compound
| Compound ID |
CP0577836
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| Compound Name |
US9062070, 3
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| Structure |
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| Formula |
C25H26N8O4
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| Molecular Weight |
502.535
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ncc12)-n1cnnn1
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| InChI |
InChI=1S/C25H26N8O4/c1-14-16(2-3-18-20(14)12-37-24(18)35)22-10-31-6-7-32(9-15(31)11-36-22)23(34)17-4-5-21-19(17)8-26-25(28-21)33-13-27-29-30-33/h2-3,8,13,15,17,22H,4-7,9-12H2,1H3/t15-,17?,22+/m0/s1
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| InChIKey |
RLTZVPGCQSHVDY-SSMNUEENSA-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