General Information of the Compound
| Compound ID |
CP0531998
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| Compound Name |
N-(cyclopropylmethyl)-N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]benzamide
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| Formula |
C26H30FN3O2
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| Molecular Weight |
435.543
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCN(CC2CC2)C(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C26H30FN3O2/c27-22-9-10-23-24(17-22)32-28-25(23)20-11-15-29(16-12-20)13-4-14-30(18-19-7-8-19)26(31)21-5-2-1-3-6-21/h1-3,5-6,9-10,17,19-20H,4,7-8,11-16,18H2
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| InChIKey |
QUQIRGIEPRATEC-UHFFFAOYSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor