General Information of the Compound
| Compound ID |
CP0175132
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| Compound Name |
US8575201, 144
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| Structure |
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| Formula |
C24H27N9O2
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| Molecular Weight |
473.541
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| Canonical SMILES |
CC(C)(C)NC(=O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C24H27N9O2/c1-23(2,3)31-19(34)14-33-13-16(11-29-33)20-30-21(32-35-20)24(7-4-8-24)17-5-6-18(26-12-17)15-9-27-22(25)28-10-15/h5-6,9-13H,4,7-8,14H2,1-3H3,(H,31,34)(H2,25,27,28)
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| InChIKey |
MGQUKLBZFFHVLX-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