General Information of the Compound
| Compound ID |
CP0567345
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| Compound Name |
US9079906, 186
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| Structure |
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| Formula |
C27H40N6O4
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| Molecular Weight |
512.655
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| Canonical SMILES |
CCN(CC)c1nn2c(nn(CC(=O)c3cc(OCCCO)c(OC)c(c3)C(C)(C)C)c2=N)c(C)c1C
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| InChI |
InChI=1S/C27H40N6O4/c1-9-31(10-2)24-17(3)18(4)25-29-32(26(28)33(25)30-24)16-21(35)19-14-20(27(5,6)7)23(36-8)22(15-19)37-13-11-12-34/h14-15,28,34H,9-13,16H2,1-8H3
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| InChIKey |
HPCZQMHXVUBECN-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