General Information of the Compound
| Compound ID |
CP0396904
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| Compound Name |
2-[(5R)-4-[2-(3-pentanoyloxyphenyl)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 |
C24H26F3N3O5
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| Molecular Weight |
493.482
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| Canonical SMILES |
CCCCC(=O)Oc1cccc(CC(=O)N2CCNc3nc(ccc3[C@H]2CC(O)=O)C(F)(F)F)c1
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| InChI |
InChI=1S/C24H26F3N3O5/c1-2-3-7-22(34)35-16-6-4-5-15(12-16)13-20(31)30-11-10-28-23-17(18(30)14-21(32)33)8-9-19(29-23)24(25,26)27/h4-6,8-9,12,18H,2-3,7,10-11,13-14H2,1H3,(H,28,29)(H,32,33)/t18-/m1/s1
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| InChIKey |
WCWNRFDGXTWFSD-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