General Information of the Compound
| Compound ID |
CP0514270
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| Compound Name |
(R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(6-nitro-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid
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| Structure |
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| Formula |
C30H36FN5O4
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| Molecular Weight |
549.647
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| Canonical SMILES |
OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccc(cn23)[N+]([O-])=O)[C@H](C1)c1cccc(F)c1
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| InChI |
InChI=1S/C30H36FN5O4/c31-24-6-2-5-22(14-24)26-19-34(27(30(37)38)13-20-3-1-4-20)17-23(26)16-33-11-9-21(10-12-33)28-15-32-29-8-7-25(36(39)40)18-35(28)29/h2,5-8,14-15,18,20-21,23,26-27H,1,3-4,9-13,16-17,19H2,(H,37,38)/t23-,26+,27+/m0/s1
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| InChIKey |
QMFXDZUGEYPXTL-HUROMRQRSA-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