General Information of the Compound
| Compound ID |
CP0170663
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| Compound Name |
US8680275, 141
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| Structure |
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| Formula |
C23H27N7O
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| Molecular Weight |
417.517
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| Canonical SMILES |
CN(C)c1ccnc(c1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cccc(C)c1-n1nccn1
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| InChI |
InChI=1S/C23H27N7O/c1-16-5-4-6-19(22(16)30-25-10-11-26-30)23(31)28-12-8-17-14-29(20(17)15-28)21-13-18(27(2)3)7-9-24-21/h4-7,9-11,13,17,20H,8,12,14-15H2,1-3H3/t17-,20-/m0/s1
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| InChIKey |
RMVQTFNCMRGHFJ-PXNSSMCTSA-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