General Information of the Compound
| Compound ID |
CP0154914
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| Compound Name |
1-[5-chloro-2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]-3-cyclopropylurea
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| Structure |
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| Formula |
C25H29Cl2N3O5
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| Molecular Weight |
522.429
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| Canonical SMILES |
O[C@H](COc1cc(O)c(Cl)cc1NC(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C25H29Cl2N3O5/c26-16-1-4-22-15(9-16)12-25(35-22)5-7-30(8-6-25)13-18(31)14-34-23-11-21(32)19(27)10-20(23)29-24(33)28-17-2-3-17/h1,4,9-11,17-18,31-32H,2-3,5-8,12-14H2,(H2,28,29,33)/t18-/m0/s1
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| InChIKey |
QJAYKDGGKXBVAZ-SFHVURJKSA-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: PT01070, C-C chemokine receptor type 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2