General Information of the Compound
| Compound ID |
CP0470179
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| Compound Name |
US9388162, 17
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| Structure |
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| Formula |
C27H34N2O6
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| Molecular Weight |
482.577
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| Canonical SMILES |
OC(=O)[C@@H]1CCCN1C(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O
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| InChI |
InChI=1S/C27H34N2O6/c30-19-6-5-17-10-23-27(35)13-18(11-24(32)29-8-1-2-21(29)25(33)34)22(31)14-26(27,20(17)12-19)7-9-28(23)15-16-3-4-16/h5-6,12,16,18,21,23,30,35H,1-4,7-11,13-15H2,(H,33,34)/t18-,21-,23+,26+,27+/m0/s1
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| InChIKey |
KPXSJJIDCFSOFD-IYEHQTAGSA-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