General Information of the Compound
| Compound ID |
CP0120685
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| Compound Name |
(1R,3R)-3-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclopentan-1-ol
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| Structure |
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| Formula |
C14H16N4O
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| Molecular Weight |
256.309
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| Canonical SMILES |
Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CC[C@@H](O)C1
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| InChI |
InChI=1S/C14H16N4O/c1-8-17-12-7-16-14-11(4-5-15-14)13(12)18(8)9-2-3-10(19)6-9/h4-5,7,9-10,19H,2-3,6H2,1H3,(H,15,16)/t9-,10-/m1/s1
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| InChIKey |
YGCGXSAHRCHNJB-NXEZZACHSA-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