General Information of the Compound
| Compound ID |
CP0165564
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| Compound Name |
N-cyclohexyl-7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)isoquinolin-1-amine
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| Structure |
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| Formula |
C23H25N7O
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| Molecular Weight |
415.501
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| Canonical SMILES |
CN1CCOc2c1cnn1c(nnc21)-c1ccc2ccnc(NC3CCCCC3)c2c1
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| InChI |
InChI=1S/C23H25N7O/c1-29-11-12-31-20-19(29)14-25-30-22(27-28-23(20)30)16-8-7-15-9-10-24-21(18(15)13-16)26-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,24,26)
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| InChIKey |
JVSVOIZZHBUDNG-UHFFFAOYSA-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