General Information of the Compound
| Compound ID |
CP0390940
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| Compound Name |
4-[4-[2-[(2R)-1-isoquinolin-4-ylsulfonylpyrrolidin-2-yl]ethyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C26H29N5O4S
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| Molecular Weight |
507.616
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| Canonical SMILES |
O=c1[nH]c2c(cccc2o1)N1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1
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| InChI |
InChI=1S/C26H29N5O4S/c32-26-28-25-22(8-3-9-23(25)35-26)30-15-13-29(14-16-30)12-10-20-6-4-11-31(20)36(33,34)24-18-27-17-19-5-1-2-7-21(19)24/h1-3,5,7-9,17-18,20H,4,6,10-16H2,(H,28,32)/t20-/m1/s1
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| InChIKey |
HACFIQPIDCCMMT-HXUWFJFHSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor