General Information of the Compound
| Compound ID |
CP0429919
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| Compound Name |
3-(Pyridin-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-propenone
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| Structure |
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| Formula |
C18H19N3O
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| Molecular Weight |
293.37
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| Canonical SMILES |
Cc1nn(C(=O)\C=C\c2ccncc2)c2C[C@@H]3[C@H](c12)C3(C)C
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| InChI |
InChI=1S/C18H19N3O/c1-11-16-14(10-13-17(16)18(13,2)3)21(20-11)15(22)5-4-12-6-8-19-9-7-12/h4-9,13,17H,10H2,1-3H3/b5-4+/t13-,17-/m1/s1
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| InChIKey |
NEXHZTSGFKLJQD-SSDWJNDTSA-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