General Information of the Compound
| Compound ID |
CP0450027
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| Compound Name |
US10336717, Compound 154
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| Structure |
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| Formula |
C27H30N4O2
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| Molecular Weight |
442.563
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cccc(c2)C#N)CC1
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| InChI |
InChI=1S/C27H30N4O2/c1-17(2)31-24(32)27(30-25(31)29)23-14-20(19-6-4-5-18(13-19)16-28)7-8-21(23)15-26(27)11-9-22(33-3)10-12-26/h4-8,13-14,17,22H,9-12,15H2,1-3H3,(H2,29,30)
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| InChIKey |
PHPCWCQQZNAGLR-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