General Information of the Compound
| Compound ID |
CP0515558
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| Compound Name |
US8993586, 93
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| Structure |
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| Formula |
C23H29N7O2
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| Molecular Weight |
435.532
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| Canonical SMILES |
CNc1n[nH]c2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
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| InChI |
InChI=1S/C23H29N7O2/c1-22(2,3)30-13-15-12-23(25-20(31)18(15)28-30)7-9-29(10-8-23)21(32)14-5-6-17-16(11-14)19(24-4)27-26-17/h5-6,11,13H,7-10,12H2,1-4H3,(H,25,31)(H2,24,26,27)
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| InChIKey |
KQMFABOLMFDCDS-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