General Information of the Compound
| Compound ID |
CP0250915
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| Compound Name |
N-[(4-benzyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(1H-indol-3-yl)propan-1-amine
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| Structure |
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| Formula |
C27H29N3O
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| Molecular Weight |
411.549
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| Canonical SMILES |
C(CNCC1CN(Cc2ccccc2)c2ccccc2O1)Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C27H29N3O/c1-2-9-21(10-3-1)19-30-20-23(31-27-15-7-6-14-26(27)30)18-28-16-8-11-22-17-29-25-13-5-4-12-24(22)25/h1-7,9-10,12-15,17,23,28-29H,8,11,16,18-20H2
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| InChIKey |
WQZDAFQSPAHESA-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