General Information of the Compound
| Compound ID |
CP0313374
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| Compound Name |
US8664236, A35
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| Structure |
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| Formula |
C24H23N9O
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| Molecular Weight |
453.51
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(N)=O)c3ccccc3)c2c1
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| InChI |
InChI=1S/C24H23N9O/c1-32-14-16(12-29-32)15-9-18-19(13-28-23(18)27-11-15)20-10-22(31-24(26)30-20)33(8-7-21(25)34)17-5-3-2-4-6-17/h2-6,9-14H,7-8H2,1H3,(H2,25,34)(H,27,28)(H2,26,30,31)
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| InChIKey |
MKBVASLXGYMWKZ-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