General Information of the Compound
| Compound ID |
CP0518992
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| Compound Name |
US9181182, 46
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| Structure |
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| Formula |
C23H29N5O4
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| Molecular Weight |
439.516
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| Canonical SMILES |
CCCOc1ccc(cc1N)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
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| InChI |
InChI=1S/C23H29N5O4/c1-2-10-31-20-7-6-15(11-18(20)24)22-26-21(27-32-22)17-4-3-5-19-16(17)8-9-28(19)12-23(25,13-29)14-30/h3-7,11,29-30H,2,8-10,12-14,24-25H2,1H3
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| InChIKey |
JUVBEQPRSJAOTR-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