General Information of the Compound
| Compound ID |
CP0104145
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| Compound Name |
N-cyclopropyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
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| Structure |
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| Formula |
C30H32N6O2
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| Molecular Weight |
508.626
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| Canonical SMILES |
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NC2CC2)CC1
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| InChI |
InChI=1S/C30H32N6O2/c1-20-8-11-23-24(32-20)5-3-6-25(23)35-16-14-34(15-17-35)13-12-21-4-2-7-26-29(21)38-18-27-28(31-19-36(26)27)30(37)33-22-9-10-22/h2-8,11,19,22H,9-10,12-18H2,1H3,(H,33,37)
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| InChIKey |
BSRXZCMRRHEYBS-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00871, Sodium-dependent serotonin transporter