General Information of the Compound
| Compound ID |
CP0478768
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| Compound Name |
US9216182, 1.31
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| Structure |
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| Formula |
C20H32N4O3
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| Molecular Weight |
376.501
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| Canonical SMILES |
COCc1ccnc(c1)N1CCC(CC1)OC(=O)N1CCN(CC1)C(C)C
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| InChI |
InChI=1S/C20H32N4O3/c1-16(2)22-10-12-24(13-11-22)20(25)27-18-5-8-23(9-6-18)19-14-17(15-26-3)4-7-21-19/h4,7,14,16,18H,5-6,8-13,15H2,1-3H3
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| InChIKey |
PTYWPLBCPAXVEZ-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