General Information of the Compound
| Compound ID |
CP0462838
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| Compound Name |
US9029381, 34
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| Structure |
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| Formula |
C22H29N3O2
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| Molecular Weight |
367.493
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| Canonical SMILES |
O=C([C@H]1CC1c1cccc(c1)N1CCCC1=O)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C22H29N3O2/c26-21-8-3-9-25(21)18-7-1-4-16(14-18)19-15-20(19)22(27)24-12-10-23(11-13-24)17-5-2-6-17/h1,4,7,14,17,19-20H,2-3,5-6,8-13,15H2/t19?,20-/m0/s1
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| InChIKey |
XAGDIZMJFDFBJY-ANYOKISRSA-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