General Information of the Compound
| Compound ID |
CP0216068
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| Compound Name |
N-(cyclopropylmethyl)-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 |
C31H34N6O2
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| Molecular Weight |
522.653
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| Canonical SMILES |
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NCC2CC2)CC1
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| InChI |
InChI=1S/C31H34N6O2/c1-21-8-11-24-25(34-21)5-3-6-26(24)36-16-14-35(15-17-36)13-12-23-4-2-7-27-30(23)39-19-28-29(33-20-37(27)28)31(38)32-18-22-9-10-22/h2-8,11,20,22H,9-10,12-19H2,1H3,(H,32,38)
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| InChIKey |
RKTWFMDUKBINRA-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