General Information of the Compound
| Compound ID |
CP0429012
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| Compound Name |
(S)-4-[3-(2-{(S)-3-[(Benzyl-methyl-amino)-methyl]-pyrrolidin-1-yl}-ethyl)-1H-indol-5-ylmethyl]-3-methyl-oxazolidin-2-one
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| Structure |
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| Formula |
C28H36N4O2
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| Molecular Weight |
460.622
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| Canonical SMILES |
CN(C[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4C)cc23)C1)Cc1ccccc1
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| InChI |
InChI=1S/C28H36N4O2/c1-30(17-21-6-4-3-5-7-21)18-23-10-12-32(19-23)13-11-24-16-29-27-9-8-22(15-26(24)27)14-25-20-34-28(33)31(25)2/h3-9,15-16,23,25,29H,10-14,17-20H2,1-2H3/t23-,25-/m0/s1
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| InChIKey |
BDAPYHMNZXWDPN-ZCYQVOJMSA-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