General Information of the Compound
| Compound ID |
CP0447607
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| Compound Name |
(R)-4-(benzyloxy)-1-(1-(2-(2-(methoxymethyl)pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C27H30N4O3
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| Molecular Weight |
458.562
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| Canonical SMILES |
COC[C@H]1CCCN1CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C27H30N4O3/c1-33-20-24-8-5-12-29(24)14-15-31-26-10-9-23(16-22(26)18-28-31)30-13-11-25(17-27(30)32)34-19-21-6-3-2-4-7-21/h2-4,6-7,9-11,13,16-18,24H,5,8,12,14-15,19-20H2,1H3/t24-/m1/s1
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| InChIKey |
RKFUUDHVACYQEP-XMMPIXPASA-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