General Information of the Compound
| Compound ID |
CP0488763
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| Compound Name |
US8993586, 36
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| Structure |
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| Formula |
C25H29N5O2
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| Molecular Weight |
431.54
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| Canonical SMILES |
CNc1cccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
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| InChI |
InChI=1S/C25H29N5O2/c1-16(2)30-22-19(15-27-30)14-25(28-23(22)31)9-11-29(12-10-25)24(32)18-8-7-17-5-4-6-21(26-3)20(17)13-18/h4-8,13,15-16,26H,9-12,14H2,1-3H3,(H,28,31)
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| InChIKey |
GYUROCZJFUSHIG-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