General Information of the Compound
| Compound ID |
CP0961348
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| Compound Name |
US8921559, 33
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| Structure |
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| Formula |
C33H40N4O3
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| Molecular Weight |
540.708
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| Canonical SMILES |
NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCCO3)CC1
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| InChI |
InChI=1S/C33H40N4O3/c34-33(39)32(36-26-11-9-23(10-12-26)28-21-35-29-6-2-1-5-27(28)29)24-15-17-37(18-16-24)31(38)14-8-22-7-13-30-25(20-22)4-3-19-40-30/h1-2,5-8,13-14,20-21,23-24,26,32,35-36H,3-4,9-12,15-19H2,(H2,34,39)/b14-8+
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| InChIKey |
HNKFOSVQJCKHRM-RIYZIHGNSA-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