General Information of the Compound
| Compound ID |
CP0392858
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| Compound Name |
2-[(5R)-4-[2-[3-(2-methylpropoxy)phenyl]acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
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| Structure |
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| Formula |
C23H26F3N3O4
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| Molecular Weight |
465.472
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| Canonical SMILES |
CC(C)COc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
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| InChI |
InChI=1S/C23H26F3N3O4/c1-14(2)13-33-16-5-3-4-15(10-16)11-20(30)29-9-8-27-22-17(18(29)12-21(31)32)6-7-19(28-22)23(24,25)26/h3-7,10,14,18H,8-9,11-13H2,1-2H3,(H,27,28)(H,31,32)/t18-/m1/s1
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| InChIKey |
LOGYNHUXJMCIQV-GOSISDBHSA-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: PT01996, Bombesin receptor subtype-3
Protein ID: PT05422, Bombesin receptor subtype-3