General Information of the Compound
| Compound ID |
CP0453637
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| Compound Name |
(S)-3-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-propan-1-ol
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| Structure |
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| Formula |
C27H34N6O
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| Molecular Weight |
458.61
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| Canonical SMILES |
OC[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C27H34N6O/c34-18-24(15-21-5-2-1-3-6-21)31-23-10-13-32(14-11-23)12-4-7-22-17-28-27-9-8-25(16-26(22)27)33-19-29-30-20-33/h1-3,5-6,8-9,16-17,19-20,23-24,28,31,34H,4,7,10-15,18H2/t24-/m0/s1
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| InChIKey |
GDIIVCHUJPZCJM-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D