General Information of the Compound
| Compound ID |
CP0073203
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| Compound Name |
(S)-1-(2-hydroxy-1-phenylethyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
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| Structure |
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| Formula |
C26H29F3N4O2
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| Molecular Weight |
486.538
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| Canonical SMILES |
OC[C@@H](NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1
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| InChI |
InChI=1S/C26H29F3N4O2/c27-26(28,29)21-6-8-23(9-7-21)33-15-10-19(17-33)16-32-13-11-22(12-14-32)30-25(35)31-24(18-34)20-4-2-1-3-5-20/h1-10,15,17,22,24,34H,11-14,16,18H2,(H2,30,31,35)/t24-/m1/s1
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| InChIKey |
SABBBCPABFDZNM-XMMPIXPASA-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2