General Information of the Compound
| Compound ID |
CP0554163
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| Compound Name |
US9365511, 20
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| Structure |
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| Formula |
C34H46N2O3
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| Molecular Weight |
530.753
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| Canonical SMILES |
CCOC(=O)[C@H]1CCCC[C@H]1NC(=O)C1(CCCC1)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1
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| InChI |
InChI=1S/C34H46N2O3/c1-3-39-32(37)30-10-4-5-11-31(30)35-33(38)34(21-6-7-22-34)29-18-16-28(17-19-29)27-14-12-26(13-15-27)20-24-36-23-8-9-25(36)2/h12-19,25,30-31H,3-11,20-24H2,1-2H3,(H,35,38)/t25-,30+,31-/m1/s1
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| InChIKey |
HESJBCYIRDWZIK-SDDUWZMOSA-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