General Information of the Compound
| Compound ID |
CP0488553
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| Compound Name |
CHEMBL2178369
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| Formula |
C23H27N7O
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| Molecular Weight |
417.517
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| Canonical SMILES |
Cc1nc(C)c(nc1C(N)=O)-c1ccc2c(CC[C@@]22CC[C@H](Cc3nnn[nH]3)CC2)c1
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| InChI |
InChI=1S/C23H27N7O/c1-13-20(26-21(22(24)31)14(2)25-13)17-3-4-18-16(12-17)7-10-23(18)8-5-15(6-9-23)11-19-27-29-30-28-19/h3-4,12,15H,5-11H2,1-2H3,(H2,24,31)(H,27,28,29,30)/t15-,23-
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| InChIKey |
RYUVHHFBAIAIHW-CWSKOGRWSA-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