General Information of the Compound
| Compound ID |
CP0952604
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| Compound Name |
US9314468, Table 7, Compound 28
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| Structure |
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| Formula |
C33H42N6O
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| Molecular Weight |
538.74
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| Canonical SMILES |
CC(C)(C)C(=O)N1CCN(CCCN(Cc2nccc3c2[nH]c2ccccc23)C2CCCc3cccnc32)CC1
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| InChI |
InChI=1S/C33H42N6O/c1-33(2,3)32(40)38-21-19-37(20-22-38)17-8-18-39(29-13-6-9-24-10-7-15-35-30(24)29)23-28-31-26(14-16-34-28)25-11-4-5-12-27(25)36-31/h4-5,7,10-12,14-16,29,36H,6,8-9,13,17-23H2,1-3H3
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| InChIKey |
JMPGXUGRSGZPNC-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