General Information of the Compound
| Compound ID |
CP0884526
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| Compound Name |
(E)-3-(2,5-Difluorophenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1Hcyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C19H18F2N2O
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| Molecular Weight |
328.362
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| Canonical SMILES |
Cc1nn(C(=O)/C=C/c2cc(F)ccc2F)c2c1[C@H]1[C@@H](C2)C1(C)C
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| InChI |
InChI=1S/C19H18F2N2O/c1-10-17-15(9-13-18(17)19(13,2)3)23(22-10)16(24)7-4-11-8-12(20)5-6-14(11)21/h4-8,13,18H,9H2,1-3H3/b7-4+/t13-,18-/m1/s1
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| InChIKey |
VOPPTSSZEHYATR-HWRORLEJSA-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