General Information of the Compound
| Compound ID |
CP0558867
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| Compound Name |
US9598415, 204
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| Structure |
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| Formula |
C27H28N8O2
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| Molecular Weight |
496.575
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| Canonical SMILES |
C[C@@H](C1CC1)n1c2nc(ncc2nc(NCc2ccc(cc2)C(N)=O)c1=O)-c1c(C)ncnc1C1CC1
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| InChI |
InChI=1S/C27H28N8O2/c1-14-21(22(18-9-10-18)32-13-31-14)24-30-12-20-26(34-24)35(15(2)17-7-8-17)27(37)25(33-20)29-11-16-3-5-19(6-4-16)23(28)36/h3-6,12-13,15,17-18H,7-11H2,1-2H3,(H2,28,36)(H,29,33)/t15-/m0/s1
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| InChIKey |
XEPKOKIMGBEFLS-HNNXBMFYSA-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