General Information of the Compound
| Compound ID |
CP0417214
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| Compound Name |
8-[(2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino]-6,7,8,9-tetrahydro-1H-benzo[e]indol-2(3H)-one
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| Structure |
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| Formula |
C27H36N4O
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| Molecular Weight |
432.612
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1ccccc1)C1CCc2ccc3NC(=O)Cc3c2C1
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| InChI |
InChI=1S/C27H36N4O/c1-2-12-30(16-13-29-14-17-31(18-15-29)22-6-4-3-5-7-22)23-10-8-21-9-11-26-25(24(21)19-23)20-27(32)28-26/h3-7,9,11,23H,2,8,10,12-20H2,1H3,(H,28,32)
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| InChIKey |
PJWMINWCBXFJAI-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor