General Information of the Compound
| Compound ID |
CP0455440
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| Compound Name |
5-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-2H-benzotriazole
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| Structure |
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| Formula |
C18H27N5O2S
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| Molecular Weight |
377.514
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| Canonical SMILES |
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]nnc3c2)CC1
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| InChI |
InChI=1S/C18H27N5O2S/c1-14-6-10-22(11-7-14)12-8-15-3-2-9-23(15)26(24,25)16-4-5-17-18(13-16)20-21-19-17/h4-5,13-15H,2-3,6-12H2,1H3,(H,19,20,21)/t15-/m1/s1
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| InChIKey |
VFFKMBWTNDMDTC-OAHLLOKOSA-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