General Information of the Compound
| Compound ID |
CP0413228
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| Compound Name |
US9428456, 1.285
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| Structure |
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| Formula |
C24H32N6O2
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| Molecular Weight |
436.56
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| Canonical SMILES |
Cc1cncc(c1)C(=O)Nc1ccnc(CN2CCC(CC2)C(=O)NC2CCCCC2)n1
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| InChI |
InChI=1S/C24H32N6O2/c1-17-13-19(15-25-14-17)24(32)29-21-7-10-26-22(28-21)16-30-11-8-18(9-12-30)23(31)27-20-5-3-2-4-6-20/h7,10,13-15,18,20H,2-6,8-9,11-12,16H2,1H3,(H,27,31)(H,26,28,29,32)
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| InChIKey |
SZUARAQTVZGHIF-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