General Information of the Compound
| Compound ID |
CP0376530
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| Compound Name |
[(2R)-2-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl] carbamate
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| Structure |
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| Formula |
C27H33N7O2
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| Molecular Weight |
487.608
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| Canonical SMILES |
NC(=O)OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C27H33N7O2/c28-27(35)36-17-26(20-5-2-1-3-6-20)32-22-10-13-33(14-11-22)12-4-7-21-16-29-25-9-8-23(15-24(21)25)34-18-30-31-19-34/h1-3,5-6,8-9,15-16,18-19,22,26,29,32H,4,7,10-14,17H2,(H2,28,35)/t26-/m0/s1
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| InChIKey |
ZHGLEKXSQXRAFZ-SANMLTNESA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D