General Information of the Compound
| Compound ID |
CP0566389
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| Compound Name |
US9079906, 117
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| Structure |
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| Formula |
C26H37N5O5
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| Molecular Weight |
499.612
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| Canonical SMILES |
CCC(CC)Oc1cc(C)c2nn(CC(=O)c3cc(OCCO)c(OC)c(c3)C(C)(C)C)c(=N)n2n1
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| InChI |
InChI=1S/C26H37N5O5/c1-8-18(9-2)36-22-12-16(3)24-29-30(25(27)31(24)28-22)15-20(33)17-13-19(26(4,5)6)23(34-7)21(14-17)35-11-10-32/h12-14,18,27,32H,8-11,15H2,1-7H3
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| InChIKey |
ZLTRISJNPZHFKW-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