General Information of the Compound
| Compound ID |
CP0507701
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| Compound Name |
US10065961, Compound 29
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| Structure |
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| Formula |
C25H23N5O
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| Molecular Weight |
409.493
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| Canonical SMILES |
C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C25H23N5O/c1-17-7-6-10-22(26-17)24-28-27-23-18(2)29(15-16-30(23)24)25(31)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-14,18H,15-16H2,1-2H3/t18-/m1/s1
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| InChIKey |
XPXDUFBCXYPOFW-GOSISDBHSA-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: PT01199, Neuromedin-K receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2