General Information of the Compound
| Compound ID |
CP0434919
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| Compound Name |
N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
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| Structure |
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| Formula |
C21H29N3O2S
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| Molecular Weight |
387.549
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| Canonical SMILES |
CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2CNCCc12
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| InChI |
InChI=1S/C21H29N3O2S/c1-2-4-23-18(25)17-15-3-5-22-11-16(15)27-19(17)24-20(26)21-9-12-6-13(10-21)8-14(21)7-12/h12-14,22H,2-11H2,1H3,(H,23,25)(H,24,26)
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| InChIKey |
BWGIYWVDKHISHC-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