General Information of the Compound
| Compound ID |
CP0474719
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| Compound Name |
2,8-dimethyl-3-[2-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]ethyl]pyrido[1,2-a]pyrimidin-4-one
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| Structure |
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| Formula |
C26H31N5O
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| Molecular Weight |
429.568
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| Canonical SMILES |
CN1CCN2[C@H]3CCN(CCc4c(C)nc5cc(C)ccn5c4=O)C[C@H]3c3cccc1c23
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| InChI |
InChI=1S/C26H31N5O/c1-17-7-12-31-24(15-17)27-18(2)19(26(31)32)8-10-29-11-9-22-21(16-29)20-5-4-6-23-25(20)30(22)14-13-28(23)3/h4-7,12,15,21-22H,8-11,13-14,16H2,1-3H3/t21-,22-/m0/s1
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| InChIKey |
MDKGKTITVZUGQM-VXKWHMMOSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00957, D(2) dopamine receptor