General Information of the Compound
| Compound ID |
CP0148893
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| Compound Name |
(3S)-N,N-Dimethyl-1-[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]pyrrolidin-3-amine
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| Structure |
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| Formula |
C23H24N4O2S
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| Molecular Weight |
420.538
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| Canonical SMILES |
CN(C)[C@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C23H24N4O2S/c1-26(2)18-12-13-27(15-18)17-10-11-21-20(14-17)23(25-24-21)30(28,29)22-9-5-7-16-6-3-4-8-19(16)22/h3-11,14,18H,12-13,15H2,1-2H3,(H,24,25)/t18-/m0/s1
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| InChIKey |
ADEIHMYSULIEAK-SFHVURJKSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT01354, 5-hydroxytryptamine receptor 6