General Information of the Compound
| Compound ID |
CP0517187
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| Compound Name |
US9828368, Example 57
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| Structure |
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| Formula |
C26H25N5O4
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| Molecular Weight |
471.517
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| Canonical SMILES |
COC(=O)c1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C26H25N5O4/c1-17-12-13-19(24-29-22(26(33)34-2)23(35-24)18-8-4-3-5-9-18)16-30(17)25(32)20-10-6-7-11-21(20)31-27-14-15-28-31/h3-11,14-15,17,19H,12-13,16H2,1-2H3/t17-,19-/m1/s1
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| InChIKey |
AZIMZRYVUDARIJ-IEBWSBKVSA-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
Protein ID: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1