General Information of the Compound
| Compound ID |
CP0398421
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| Compound Name |
(4aR,10bR)-N-[(4-methoxyphenyl)methyl]-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide
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| Structure |
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| Formula |
C24H30N2O3
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| Molecular Weight |
394.515
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| Canonical SMILES |
CCCN1CCO[C@H]2[C@H]1CCc1ccc(cc21)C(=O)NCc1ccc(OC)cc1
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| InChI |
InChI=1S/C24H30N2O3/c1-3-12-26-13-14-29-23-21-15-19(7-6-18(21)8-11-22(23)26)24(27)25-16-17-4-9-20(28-2)10-5-17/h4-7,9-10,15,22-23H,3,8,11-14,16H2,1-2H3,(H,25,27)/t22-,23-/m1/s1
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| InChIKey |
NTVSBHFQAIUFRR-DHIUTWEWSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor