General Information of the Compound
| Compound ID |
CP0529265
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| Compound Name |
US9062070, 14
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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 |
O=C(C1CCCc2nc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1
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| InChI |
InChI=1S/C27H29N7O4/c35-26(22-2-1-3-23-21(22)6-7-25(29-23)34-16-28-30-31-34)33-10-9-32-14-24(38-15-19(32)13-33)18-4-5-20-17(12-18)8-11-37-27(20)36/h4-7,12,16,19,22,24H,1-3,8-11,13-15H2/t19-,22?,24-/m0/s1
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| InChIKey |
GTMLLAPUMAOJLN-UIEAFCHPSA-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