General Information of the Compound
| Compound ID |
CP0207251
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| Compound Name |
6-{(R)-2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-1H-indole
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| Structure |
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| Formula |
C20H29N3O2S
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| Molecular Weight |
375.538
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| Canonical SMILES |
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
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| InChI |
InChI=1S/C20H29N3O2S/c1-16-7-12-22(13-8-16)14-9-18-3-2-11-23(18)26(24,25)19-5-4-17-6-10-21-20(17)15-19/h4-6,10,15-16,18,21H,2-3,7-9,11-14H2,1H3/t18-/m1/s1
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| InChIKey |
KXAHJMMPIMPUFG-GOSISDBHSA-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