General Information of the Compound
| Compound ID |
CP0503594
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| Compound Name |
US9156831, 11
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| Structure |
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| Formula |
C22H31N9O4
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| Molecular Weight |
485.549
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| Canonical SMILES |
CCn1nc(nc1-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C)C1CCN(CC1)C(=O)[C@H](O)CO
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| InChI |
InChI=1S/C22H31N9O4/c1-5-31-18(26-17(29-31)12-6-8-30(9-7-12)20(34)14(33)11-32)13-10-24-16(23)15(25-13)19-27-28-21(35-19)22(2,3)4/h10,12,14,32-33H,5-9,11H2,1-4H3,(H2,23,24)/t14-/m1/s1
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| InChIKey |
URNSXQYERGOJHT-CQSZACIVSA-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