General Information of the Compound
| Compound ID |
CP0953408
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| Compound Name |
US8921559, 15
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| Structure |
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| Formula |
C32H38N4O3
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| Molecular Weight |
526.681
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| Canonical SMILES |
NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCO3)CC1
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| InChI |
InChI=1S/C32H38N4O3/c33-32(38)31(35-25-9-7-22(8-10-25)27-20-34-28-4-2-1-3-26(27)28)23-13-16-36(17-14-23)30(37)12-6-21-5-11-29-24(19-21)15-18-39-29/h1-6,11-12,19-20,22-23,25,31,34-35H,7-10,13-18H2,(H2,33,38)/b12-6+
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| InChIKey |
UPXYWLGSJSTBFG-WUXMJOGZSA-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