General Information of the Compound
| Compound ID |
CP0859111
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| Compound Name |
US9200001, 25
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| Structure |
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| Formula |
C27H27N7O2
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| Molecular Weight |
481.56
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| Canonical SMILES |
COc1ccc(Cc2nc(C)nn2-c2cc([C@H]3C[C@@H]3c3nc4ccccc4[nH]3)nc(C)n2)cc1OC
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| InChI |
InChI=1S/C27H27N7O2/c1-15-28-22(18-13-19(18)27-31-20-7-5-6-8-21(20)32-27)14-26(29-15)34-25(30-16(2)33-34)12-17-9-10-23(35-3)24(11-17)36-4/h5-11,14,18-19H,12-13H2,1-4H3,(H,31,32)/t18-,19-/m0/s1
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| InChIKey |
IACBLLRINGPJGO-OALUTQOASA-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