General Information of the Compound
| Compound ID |
CP0170451
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| Compound Name |
US8680275, 137
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| Structure |
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| Formula |
C23H24N6O
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| Molecular Weight |
400.486
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1nccnc1-c1ccccc1
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| InChI |
InChI=1S/C23H24N6O/c1-15-12-16(2)27-23(26-15)29-13-18-8-11-28(14-19(18)29)22(30)21-20(24-9-10-25-21)17-6-4-3-5-7-17/h3-7,9-10,12,18-19H,8,11,13-14H2,1-2H3/t18-,19-/m0/s1
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| InChIKey |
UPUXRWDBRHSHSK-OALUTQOASA-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