General Information of the Compound
| Compound ID |
CP0470178
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| Compound Name |
US9388162, 12
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| Structure |
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| Formula |
C24H29NO7
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| Molecular Weight |
443.496
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| Canonical SMILES |
OC(=O)CC1(CC(O)=O)C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O
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| InChI |
InChI=1S/C24H29NO7/c26-16-4-3-15-7-18-24(32)13-22(10-20(28)29,11-21(30)31)19(27)9-23(24,17(15)8-16)5-6-25(18)12-14-1-2-14/h3-4,8,14,18,26,32H,1-2,5-7,9-13H2,(H,28,29)(H,30,31)/t18-,23-,24-/m1/s1
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| InChIKey |
PWILLFKDNTVBOW-DQMJNTIXSA-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