General Information of the Compound
| Compound ID |
CP0557224
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| Compound Name |
US9314468, Table 8, Compound 11
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| Structure |
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| Formula |
C32H41N7O
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| Molecular Weight |
539.728
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| Canonical SMILES |
CN1CCN(CC1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc34)c12
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| InChI |
InChI=1S/C32H41N7O/c1-36-18-20-37(21-19-36)30(40)23-39-28-11-3-2-10-25(28)26-13-16-34-27(32(26)39)22-38(17-5-4-14-33)29-12-6-8-24-9-7-15-35-31(24)29/h2-3,7,9-11,13,15-16,29H,4-6,8,12,14,17-23,33H2,1H3
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| InChIKey |
JQTHZRINXVEAFM-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