General Information of the Compound
| Compound ID |
CP0499517
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| Compound Name |
(S)-1-{(R)-1-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-indan-2-ol
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| Structure |
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| Formula |
C27H32N6O
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| Molecular Weight |
456.594
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| Canonical SMILES |
O[C@H]1Cc2ccccc2C1NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C27H32N6O/c34-26-14-19-4-1-2-6-23(19)27(26)31-21-9-12-32(13-10-21)11-3-5-20-16-28-25-8-7-22(15-24(20)25)33-17-29-30-18-33/h1-2,4,6-8,15-18,21,26-28,31,34H,3,5,9-14H2/t26-,27?/m0/s1
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| InChIKey |
WAFWIRIIXUFABJ-QBHOUYDASA-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