General Information of the Compound
| Compound ID |
CP0411577
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| Compound Name |
(3S)-2-[7-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]heptanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C28H35N5O3
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| Molecular Weight |
489.62
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| Canonical SMILES |
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(CC1)c1noc2ccccc12
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| InChI |
InChI=1S/C28H35N5O3/c29-27(35)24-19-21-9-4-5-10-22(21)20-33(24)26(34)13-3-1-2-8-14-31-15-17-32(18-16-31)28-23-11-6-7-12-25(23)36-30-28/h4-7,9-12,24H,1-3,8,13-20H2,(H2,29,35)/t24-/m0/s1
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| InChIKey |
NVGLOXPJLJCSKU-DEOSSOPVSA-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