General Information of the Compound
| Compound ID |
CP0579577
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| Compound Name |
CHEMBL5181246
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| Formula |
C28H37N3O4
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| Molecular Weight |
479.621
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cccc(c2)C(O)=O)CCN1
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| InChI |
InChI=1S/C28H37N3O4/c1-19-15-24(10-7-23(19)18-31-14-13-29-20(2)17-31)30(3)27(32)21-8-11-25(12-9-21)35-26-6-4-5-22(16-26)28(33)34/h4-7,10,15-16,20-21,25,29H,8-9,11-14,17-18H2,1-3H3,(H,33,34)/t20-,21-,25-/m0/s1
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| InChIKey |
AQHHGQIJXHJQER-WATLYSKOSA-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