General Information of the Compound
| Compound ID |
CP0454612
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| Compound Name |
US9469631, 22
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| Structure |
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| Formula |
C21H30N6O3
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| Molecular Weight |
414.51
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)N1NNN=C1
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| InChI |
InChI=1S/C21H30N6O3/c1-21(2,3)30-20(29)25-12-10-18(11-13-25)27(17-8-9-17)19(28)15-4-6-16(7-5-15)26-14-22-23-24-26/h4-7,14,17-18,23-24H,8-13H2,1-3H3
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| InChIKey |
VWADGCHLXPIJKV-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