General Information of the Compound
| Compound ID |
CP0474267
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| Compound Name |
2-[(5R)-4-[2-(3-propan-2-yloxycarbonylphenyl)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 |
C23H24F3N3O5
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| Molecular Weight |
479.455
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| Canonical SMILES |
CC(C)OC(=O)c1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
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| InChI |
InChI=1S/C23H24F3N3O5/c1-13(2)34-22(33)15-5-3-4-14(10-15)11-19(30)29-9-8-27-21-16(17(29)12-20(31)32)6-7-18(28-21)23(24,25)26/h3-7,10,13,17H,8-9,11-12H2,1-2H3,(H,27,28)(H,31,32)/t17-/m1/s1
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| InChIKey |
XZLFUVLTQKFWJP-QGZVFWFLSA-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