General Information of the Compound
| Compound ID |
CP0410416
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| Compound Name |
2-[(5R)-4-[2-[3-(2,2-dimethylpropoxycarbonyl)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 |
C25H28F3N3O5
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| Molecular Weight |
507.509
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| Canonical SMILES |
CC(C)(C)COC(=O)c1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
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| InChI |
InChI=1S/C25H28F3N3O5/c1-24(2,3)14-36-23(35)16-6-4-5-15(11-16)12-20(32)31-10-9-29-22-17(18(31)13-21(33)34)7-8-19(30-22)25(26,27)28/h4-8,11,18H,9-10,12-14H2,1-3H3,(H,29,30)(H,33,34)/t18-/m1/s1
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| InChIKey |
RQTOIOULULFFJW-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