General Information of the Compound
| Compound ID |
CP0565582
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| Compound Name |
US8969325, 244
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| Structure |
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| Formula |
C23H25N3O3
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| Molecular Weight |
391.471
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| Canonical SMILES |
O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc12)Nc1ccc2CCC(=O)Nc2c1
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| InChI |
InChI=1S/C23H25N3O3/c27-21-10-8-15-7-9-16(13-18(15)25-21)24-22(28)26-19-14-23(11-3-4-12-23)29-20-6-2-1-5-17(19)20/h1-2,5-7,9,13,19H,3-4,8,10-12,14H2,(H,25,27)(H2,24,26,28)/t19-/m1/s1
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| InChIKey |
FWFKWKKKIIKUEF-LJQANCHMSA-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