General Information of the Compound
| Compound ID |
CP0377018
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| Compound Name |
N-[(2R)-2-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]methanesulfonamide
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| Structure |
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| Formula |
C27H35N7O2S
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| Molecular Weight |
521.691
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| Canonical SMILES |
CS(=O)(=O)NC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C27H35N7O2S/c1-37(35,36)31-18-27(21-6-3-2-4-7-21)32-23-11-14-33(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)34-19-29-30-20-34/h2-4,6-7,9-10,16-17,19-20,23,27-28,31-32H,5,8,11-15,18H2,1H3/t27-/m0/s1
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| InChIKey |
CQARNQWLMLZWRS-MHZLTWQESA-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