General Information of the Compound
| Compound ID |
CP0380249
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| Compound Name |
1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(1H-indazol-6-yl)-urea
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| Structure |
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| Formula |
C27H29N5O
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| Molecular Weight |
439.563
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| Canonical SMILES |
O=C(Nc1ccc2c[nH]nc2c1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C27H29N5O/c33-27(29-24-11-10-22-18-28-31-26(22)17-24)30-25-9-5-4-8-23(25)19-32-14-12-21(13-15-32)16-20-6-2-1-3-7-20/h1-11,17-18,21H,12-16,19H2,(H,28,31)(H2,29,30,33)
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| InChIKey |
CVKJENRAWSRXRF-UHFFFAOYSA-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: PT01215, C-C chemokine receptor type 3