General Information of the Compound
| Compound ID |
CP0117467
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| Compound Name |
US9156831, 9
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| Structure |
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| Formula |
C22H29N9O4
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| Molecular Weight |
483.533
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| Canonical SMILES |
CCn1nc(nc1-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C)C1CCN(CC1)C(=O)CC(O)=O
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| InChI |
InChI=1S/C22H29N9O4/c1-5-31-19(26-18(29-31)12-6-8-30(9-7-12)14(32)10-15(33)34)13-11-24-17(23)16(25-13)20-27-28-21(35-20)22(2,3)4/h11-12H,5-10H2,1-4H3,(H2,23,24)(H,33,34)
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| InChIKey |
PPAUWZQIMUAKIA-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