General Information of the Compound
| Compound ID |
CP0553589
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| Compound Name |
US9062070, 1I
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| Structure |
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| Formula |
C27H29N7O4
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| Molecular Weight |
515.574
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| Canonical SMILES |
C[C@H]1Cc2cc(ccc2C(=O)O1)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
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| InChI |
InChI=1S/C27H29N7O4/c1-16-10-18-11-17(2-3-20(18)27(36)38-16)24-13-32-8-9-33(12-19(32)14-37-24)26(35)22-4-6-23-21(22)5-7-25(29-23)34-15-28-30-31-34/h2-3,5,7,11,15-16,19,22,24H,4,6,8-10,12-14H2,1H3/t16-,19+,22?,24+/m0/s1
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| InChIKey |
ZQXLHKNJQHWMKP-KLHDULROSA-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