General Information of the Compound
| Compound ID |
CP0878213
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| Compound Name |
(4aR,5R,5aR)-5-[(1E)-prop-1-enyl]-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole
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| Structure |
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| Formula |
C11H12N6
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| Molecular Weight |
228.259
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| Canonical SMILES |
C/C=C/[C@@H]1[C@H]2Cc3c(-c4nnn[nH]4)n[nH]c3[C@@H]12
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| InChI |
InChI=1S/C11H12N6/c1-2-3-5-6-4-7-9(8(5)6)12-13-10(7)11-14-16-17-15-11/h2-3,5-6,8H,4H2,1H3,(H,12,13)(H,14,15,16,17)/b3-2+/t5-,6-,8+/m1/s1
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| InChIKey |
LUCHJPWHYQGXLE-RCBDLTNLSA-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