General Information of the Compound
| Compound ID |
CP0385101
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| Compound Name |
US8957093, 81
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| Structure |
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| Formula |
C32H34N2O3
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| Molecular Weight |
494.635
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| Canonical SMILES |
Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCC1CCCCC1
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| InChI |
InChI=1S/C32H34N2O3/c1-21-22(2)34(20-24-12-14-25(15-13-24)27-10-6-7-11-28(27)32(36)37)30-17-16-26(18-29(21)30)31(35)33-19-23-8-4-3-5-9-23/h6-7,10-18,23H,3-5,8-9,19-20H2,1-2H3,(H,33,35)(H,36,37)
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| InChIKey |
RRAVOAZQKUOXKQ-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