General Information of the Compound
| Compound ID |
CP0398260
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| Compound Name |
CHEMBL3394396
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| Formula |
C21H31N3O2
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| Molecular Weight |
357.498
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| Canonical SMILES |
C[C@@]1(O)CC[C@@H](CC1)N(C1CC1)C(=O)c1cccc(n1)N1CCCCC1
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| InChI |
InChI=1S/C21H31N3O2/c1-21(26)12-10-17(11-13-21)24(16-8-9-16)20(25)18-6-5-7-19(22-18)23-14-3-2-4-15-23/h5-7,16-17,26H,2-4,8-15H2,1H3/t17-,21+
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| InChIKey |
FLHXPCNIEHEJGM-UEDWGHLCSA-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