General Information of the Compound
| Compound ID |
CP0542063
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| Compound Name |
(2S)-1-[6-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]hexanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C22H31N5O3
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| Molecular Weight |
413.522
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
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| InChI |
InChI=1S/C22H31N5O3/c23-21(29)18-8-6-12-27(18)20(28)10-2-1-5-11-25-13-15-26(16-14-25)22-17-7-3-4-9-19(17)30-24-22/h3-4,7,9,18H,1-2,5-6,8,10-16H2,(H2,23,29)/t18-/m0/s1
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| InChIKey |
NLUVWDLPAKMUIB-SFHVURJKSA-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