General Information of the Compound
| Compound ID |
CP0478127
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| Compound Name |
US9120797, 29
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| Structure |
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| Formula |
C25H31N3
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| Molecular Weight |
373.544
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| Canonical SMILES |
CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccc(C)cc12)c1ccccc1
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| InChI |
InChI=1S/C25H31N3/c1-18-9-10-22-21(17-18)20-11-16-26-24(23(20)27-22)12-14-25(15-13-24,28(2)3)19-7-5-4-6-8-19/h4-10,17,26-27H,11-16H2,1-3H3
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| InChIKey |
BYACUNBCZFSQIX-UHFFFAOYSA-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