General Information of the Compound
| Compound ID |
CP0329462
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| Compound Name |
N-[(3-cycloheptyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)methyl]methanesulfonamide
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| Structure |
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| Formula |
C17H23N5O2S
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| Molecular Weight |
361.471
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| Canonical SMILES |
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCCCC1
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| InChI |
InChI=1S/C17H23N5O2S/c1-25(23,24)20-11-15-21-14-10-19-17-13(8-9-18-17)16(14)22(15)12-6-4-2-3-5-7-12/h8-10,12,20H,2-7,11H2,1H3,(H,18,19)
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| InChIKey |
FYDAZRQUPOCZGU-UHFFFAOYSA-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