General Information of the Compound
| Compound ID |
CP0499480
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| Compound Name |
(R)-N*2*,N*2*-Dimethyl-1-phenyl-N*1*-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-ethane-1,2-diamine
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| Structure |
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| Formula |
C28H37N7
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| Molecular Weight |
471.653
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| Canonical SMILES |
CN(C)C[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C28H37N7/c1-33(2)19-28(22-7-4-3-5-8-22)32-24-12-15-34(16-13-24)14-6-9-23-18-29-27-11-10-25(17-26(23)27)35-20-30-31-21-35/h3-5,7-8,10-11,17-18,20-21,24,28-29,32H,6,9,12-16,19H2,1-2H3/t28-/m0/s1
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| InChIKey |
BWZDZVYAFFWRJC-NDEPHWFRSA-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