General Information of the Compound
| Compound ID |
CP0493189
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| Compound Name |
US9388162, 8
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| Structure |
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| Formula |
C23H29NO5
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| Molecular Weight |
399.487
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)[C@@H](CC(O)=O)C[C@@]34O)c2c1
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| InChI |
InChI=1S/C23H29NO5/c1-29-17-5-4-15-8-20-23(28)11-16(9-21(26)27)19(25)12-22(23,18(15)10-17)6-7-24(20)13-14-2-3-14/h4-5,10,14,16,20,28H,2-3,6-9,11-13H2,1H3,(H,26,27)/t16-,20+,22+,23+/m0/s1
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| InChIKey |
QMPGKHYVAFTWNZ-DQOBCGMHSA-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