General Information of the Compound
| Compound ID |
CP0523362
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| Compound Name |
US9314468, Table 7, Compound 131
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| Structure |
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| Formula |
C39H41N7O3
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| Molecular Weight |
655.803
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| Canonical SMILES |
O=C1N(CCCn2c3ccccc3c3ccnc(CN(CCCN4CCNC(=O)C4)[C@H]4CCCc5cccnc45)c23)C(=O)c2ccccc12
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| InChI |
InChI=1S/C39H41N7O3/c47-35-26-43(24-19-41-35)20-7-21-44(34-15-5-9-27-10-6-17-42-36(27)34)25-32-37-29(16-18-40-32)28-11-3-4-14-33(28)45(37)22-8-23-46-38(48)30-12-1-2-13-31(30)39(46)49/h1-4,6,10-14,16-18,34H,5,7-9,15,19-26H2,(H,41,47)/t34-/m0/s1
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| InChIKey |
QJJNRDIHTMEJQU-UMSFTDKQSA-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