General Information of the Compound
| Compound ID |
CP0896605
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| Compound Name |
US9120797, 47
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| Structure |
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| Formula |
C25H31N3O
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| Molecular Weight |
389.543
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| Canonical SMILES |
CN(C)C1(c2ccccc2)CCC2(CC1)NC(CO)Cc1c2[nH]c2ccccc12
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| InChI |
InChI=1S/C25H31N3O/c1-28(2)25(18-8-4-3-5-9-18)14-12-24(13-15-25)23-21(16-19(17-29)27-24)20-10-6-7-11-22(20)26-23/h3-11,19,26-27,29H,12-17H2,1-2H3
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| InChIKey |
DKFASWFMDDJHAC-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