General Information of the Compound
| Compound ID |
CP0474265
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| Compound Name |
2-[(5R)-4-[2-[3-(2-cyclopropylacetyl)oxyphenyl]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 |
C24H24F3N3O5
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| Molecular Weight |
491.466
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| Canonical SMILES |
OC(=O)C[C@H]1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(OC(=O)CC2CC2)c1
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| InChI |
InChI=1S/C24H24F3N3O5/c25-24(26,27)19-7-6-17-18(13-21(32)33)30(9-8-28-23(17)29-19)20(31)11-15-2-1-3-16(10-15)35-22(34)12-14-4-5-14/h1-3,6-7,10,14,18H,4-5,8-9,11-13H2,(H,28,29)(H,32,33)/t18-/m1/s1
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| InChIKey |
CGQOANXOCNXBEZ-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