General Information of the Compound
| Compound ID |
CP0527690
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| Compound Name |
3-Amino-2-[4-[4-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
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| Structure |
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| Formula |
C29H38N6O
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| Molecular Weight |
486.664
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| Canonical SMILES |
Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3c3CCCCc23)nc2CCCCc2c1=O
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| InChI |
InChI=1S/C29H38N6O/c30-35-27(31-26-14-6-4-12-24(26)29(35)36)15-7-8-16-33-17-19-34(20-18-33)28-23-11-2-1-9-21(23)22-10-3-5-13-25(22)32-28/h3,5,10,13H,1-2,4,6-9,11-12,14-20,30H2
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| InChIKey |
WOXCQSXEHWXACS-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