General Information of the Compound
| Compound ID |
CP0502819
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| Compound Name |
(R)-Cyclohexyl-{(3S,4S)-3-[4-(4-oxo-4H-quinazolin-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid
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| Structure |
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| Formula |
C32H40N4O3
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| Molecular Weight |
528.697
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| Canonical SMILES |
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc3ccccc3c2=O)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C32H40N4O3/c37-31-27-13-7-8-14-29(27)33-22-36(31)26-15-17-34(18-16-26)19-25-20-35(21-28(25)23-9-3-1-4-10-23)30(32(38)39)24-11-5-2-6-12-24/h1,3-4,7-10,13-14,22,24-26,28,30H,2,5-6,11-12,15-21H2,(H,38,39)/t25-,28+,30+/m0/s1
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| InChIKey |
XIFCSFGJWSMGDJ-GHQLXFMHSA-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