General Information of the Compound
| Compound ID |
CP0536237
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| Compound Name |
US8969358, 130
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| Structure |
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| Formula |
C30H40N2O6
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| Molecular Weight |
524.658
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| Canonical SMILES |
COC12CC[C@@]3(C[C@@H]1CNC(=O)CCCCC(O)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C30H40N2O6/c1-37-30-11-10-28(15-20(30)16-31-23(34)4-2-3-5-24(35)36)22-14-19-8-9-21(33)26-25(19)29(28,27(30)38-26)12-13-32(22)17-18-6-7-18/h8-9,18,20,22,27,33H,2-7,10-17H2,1H3,(H,31,34)(H,35,36)/t20-,22-,27-,28-,29+,30?/m1/s1
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| InChIKey |
DRQWCFLAWIMVID-YQAFQFKASA-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