General Information of the Compound
| Compound ID |
CP0401356
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| Compound Name |
CHEMBL3617186
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| Formula |
C22H33ClN2O3
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| Molecular Weight |
408.97
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| Canonical SMILES |
Cl.COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)[C@H]1CC[C@H](N)CC1
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| InChI |
InChI=1S/C22H32N2O3.ClH/c1-26-20-12-16-10-11-24(22(25)15-6-8-18(23)9-7-15)14-17(16)13-21(20)27-19-4-2-3-5-19;/h12-13,15,18-19H,2-11,14,23H2,1H3;1H/t15-,18-;
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| InChIKey |
KBRTZTUYCZVCFZ-UHSGGMBLSA-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