General Information of the Compound
| Compound ID |
CP0282470
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| Compound Name |
3-methyl-1-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C18H23N5O
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| Molecular Weight |
325.416
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| Canonical SMILES |
CC(C)CC(=O)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
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| InChI |
InChI=1S/C18H23N5O/c1-12(2)9-16(24)22-7-4-13(5-8-22)23-11-21-15-10-20-18-14(17(15)23)3-6-19-18/h3,6,10-13H,4-5,7-9H2,1-2H3,(H,19,20)
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| InChIKey |
KVHFZWVSDBIZOB-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