General Information of the Compound
| Compound ID |
CP0419908
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| Compound Name |
(2S)-1-[7-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]heptanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C23H33N5O3
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| Molecular Weight |
427.549
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(CC1)c1noc2ccccc12
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| InChI |
InChI=1S/C23H33N5O3/c24-22(30)19-9-7-13-28(19)21(29)11-3-1-2-6-12-26-14-16-27(17-15-26)23-18-8-4-5-10-20(18)31-25-23/h4-5,8,10,19H,1-3,6-7,9,11-17H2,(H2,24,30)/t19-/m0/s1
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| InChIKey |
DXYWAQXCHZOYHC-IBGZPJMESA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7