General Information of the Compound
| Compound ID |
CP0363356
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| Compound Name |
US8680275, 135
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| Structure |
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| Formula |
C22H25N7O
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| Molecular Weight |
403.49
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cccc(C)c1-n1nccn1
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| InChI |
InChI=1S/C22H25N7O/c1-14-5-4-6-18(20(14)29-23-8-9-24-29)21(30)27-10-7-17-12-28(19(17)13-27)22-25-15(2)11-16(3)26-22/h4-6,8-9,11,17,19H,7,10,12-13H2,1-3H3/t17-,19-/m0/s1
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| InChIKey |
WNFPOORBCVZXSS-HKUYNNGSSA-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