General Information of the Compound
| Compound ID |
CP0969803
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| Compound Name |
US9340542, 6
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| Structure |
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| Formula |
C25H29N3O3
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| Molecular Weight |
419.525
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| Canonical SMILES |
COc1ccc2c(c1)[C@]13CCN(CC4CC4)C[C@@]1(C2)Cc1cc(C(N)=O)c(=O)[nH]c1C3
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| InChI |
InChI=1S/C25H29N3O3/c1-31-18-5-4-16-10-24-11-17-8-19(22(26)29)23(30)27-21(17)12-25(24,20(16)9-18)6-7-28(14-24)13-15-2-3-15/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H2,26,29)(H,27,30)/t24-,25-/m1/s1
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| InChIKey |
HNGUFTHLDAQRHV-JWQCQUIFSA-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