General Information of the Compound
| Compound ID |
CP0007535
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| Compound Name |
US9745291, Compound 76
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| Structure |
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| Formula |
C24H27N3O3
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| Molecular Weight |
405.498
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| Canonical SMILES |
C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C24H27N3O3/c1-17(30-22-10-4-8-19-9-5-12-25-23(19)22)24(29)26-14-21(28)16-27-13-11-18-6-2-3-7-20(18)15-27/h2-10,12,17,21,28H,11,13-16H2,1H3,(H,26,29)/t17-,21-/m0/s1
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| InChIKey |
YPSQMJYWDJFOKN-UWJYYQICSA-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