General Information of the Compound
| Compound ID |
CP0501878
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| Compound Name |
(4aR,5R,5aS)-5-butyl-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 |
C12H16N6
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| Molecular Weight |
244.302
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| Canonical SMILES |
CCCC[C@@H]1[C@H]2Cc3c([nH]nc3-c3nnn[nH]3)[C@@H]12
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| InChI |
InChI=1S/C12H16N6/c1-2-3-4-6-7-5-8-10(9(6)7)13-14-11(8)12-15-17-18-16-12/h6-7,9H,2-5H2,1H3,(H,13,14)(H,15,16,17,18)/t6-,7-,9+/m1/s1
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| InChIKey |
VYWKYLOLYLNJFO-BHNWBGBOSA-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