General Information of the Compound
| Compound ID |
CP0942504
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| Compound Name |
SID144195125
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO
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| InChI |
InChI=1S/C27H32N4O2/c1-30-24-12-11-20(19-9-7-18(16-28)8-10-19)15-23(24)26-22(25(30)17-32)13-14-31(26)27(33)29-21-5-3-2-4-6-21/h7-12,15,21-22,25-26,32H,2-6,13-14,17H2,1H3,(H,29,33)/t22-,25-,26-/m0/s1
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| InChIKey |
MIWAUFFKUHGDHT-HRNNMHKYSA-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