General Information of the Compound
| Compound ID |
CP0375613
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| Compound Name |
4-[3-(2-butyltriazol-4-yl)propoxy]-N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-3-methoxybenzamide
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| Structure |
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| Formula |
C32H47N5O3
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| Molecular Weight |
549.76
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| Canonical SMILES |
CCCCn1ncc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@@H]2CCC(=CC2)C#C)n1
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| InChI |
InChI=1S/C32H47N5O3/c1-5-8-22-37-34-25-28(35-37)12-11-23-40-30-18-15-27(24-31(30)39-4)32(38)33-19-9-10-21-36(20-6-2)29-16-13-26(7-3)14-17-29/h3,13,15,18,24-25,29H,5-6,8-12,14,16-17,19-23H2,1-2,4H3,(H,33,38)/t29-/m0/s1
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| InChIKey |
HKOJNCZKZSYFEQ-LJAQVGFWSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor