General Information of the Compound
| Compound ID |
CP0503485
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| Compound Name |
CHEMBL456019
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| Formula |
C32H43N3O3
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| Molecular Weight |
517.714
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| Canonical SMILES |
CCN([C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(OC)cc1
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| InChI |
InChI=1S/C32H43N3O3/c1-3-34(31(36)20-23-12-16-29(38-2)17-13-23)28-21-26-14-15-27(22-28)35(26)19-18-30(24-8-5-4-6-9-24)33-32(37)25-10-7-11-25/h4-6,8-9,12-13,16-17,25-28,30H,3,7,10-11,14-15,18-22H2,1-2H3,(H,33,37)/t26-,27+,28+,30-/m0/s1
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| InChIKey |
UGRYBQQJOKDQHB-CIXDGQAGSA-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
Protein ID: PT00903, C-C chemokine receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2