General Information of the Compound
| Compound ID |
CP0454155
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| Compound Name |
(S)-4-(benzyloxy)-1-(1-(pyrrolidin-2-ylmethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C24H24N4O2
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| Molecular Weight |
400.482
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| Canonical SMILES |
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(C[C@@H]3CCCN3)ncc2c1
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| InChI |
InChI=1S/C24H24N4O2/c29-24-14-22(30-17-18-5-2-1-3-6-18)10-12-27(24)21-8-9-23-19(13-21)15-26-28(23)16-20-7-4-11-25-20/h1-3,5-6,8-10,12-15,20,25H,4,7,11,16-17H2/t20-/m0/s1
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| InChIKey |
QKLSEEQZERDNCY-FQEVSTJZSA-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2