General Information of the Compound
| Compound ID |
CP0475498
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| Compound Name |
3-Amino-2-[4-[4-(2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl)-piperazin-1-yl]butyl]-5,6,7,8-tequinazolintrahydro-3H--4-one
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| Structure |
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| Formula |
C28H36N6O
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| Molecular Weight |
472.637
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| Canonical SMILES |
Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3c3CCCc23)nc2CCCCc2c1=O
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| InChI |
InChI=1S/C28H36N6O/c29-34-26(30-25-13-4-2-9-23(25)28(34)35)14-5-6-15-32-16-18-33(19-17-32)27-22-11-7-10-20(22)21-8-1-3-12-24(21)31-27/h1,3,8,12H,2,4-7,9-11,13-19,29H2
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| InChIKey |
VTHVGLORMDHGGF-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A