General Information of the Compound
| Compound ID |
CP0447275
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| Compound Name |
US9556190, Example 1
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| Structure |
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| Formula |
C24H25N5O4
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| Molecular Weight |
447.495
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccc2c1C(=O)OC2(C)C
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| InChI |
InChI=1S/C24H25N5O4/c1-15-8-9-16(32-21-20-18(10-11-25-21)24(2,3)33-23(20)31)14-28(15)22(30)17-6-4-5-7-19(17)29-26-12-13-27-29/h4-7,10-13,15-16H,8-9,14H2,1-3H3/t15-,16-/m1/s1
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| InChIKey |
GUWWYBWZNZHGRM-HZPDHXFCSA-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