General Information of the Compound
| Compound ID |
CP0451427
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| Compound Name |
US9388162, 1
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| Structure |
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| Formula |
C25H33NO5
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| Molecular Weight |
427.541
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| Canonical SMILES |
CCOC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O
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| InChI |
InChI=1S/C25H33NO5/c1-3-31-23(28)11-18-13-25(29)22-10-17-6-7-19(30-2)12-20(17)24(25,14-21(18)27)8-9-26(22)15-16-4-5-16/h6-7,12,16,18,22,29H,3-5,8-11,13-15H2,1-2H3/t18-,22+,24+,25+/m0/s1
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| InChIKey |
BLZWGGQJDWDCCU-VCRBZLFYSA-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