General Information of the Compound
| Compound ID |
CP0522712
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| Compound Name |
(2'R,4'S)-7'-(1H-1,2,3,4-tetrazol-5-yl)-8',9'-diazaspiro[cyclopentane-1,3'-tricyclo[4.3.0.0^{2,4}]nonane]-1'(6'),7'-diene
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| Structure |
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| Formula |
C12H14N6
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| Molecular Weight |
242.286
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| Canonical SMILES |
C1CCC2(C1)[C@H]1Cc3c([nH]nc3-c3nnn[nH]3)[C@@H]21
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| InChI |
InChI=1S/C12H14N6/c1-2-4-12(3-1)7-5-6-9(8(7)12)13-14-10(6)11-15-17-18-16-11/h7-8H,1-5H2,(H,13,14)(H,15,16,17,18)/t7-,8-/m0/s1
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| InChIKey |
ZUADEZLTQJTWKW-YUMQZZPRSA-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