General Information of the Compound
| Compound ID |
CP0395137
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| Compound Name |
(R)-2-((3S,4S)-3-((4-(3H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid
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| Structure |
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| Formula |
C30H39N5O2
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| Molecular Weight |
501.675
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| Canonical SMILES |
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)n2cnc3cccnc23)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C30H39N5O2/c36-30(37)28(23-10-5-2-6-11-23)34-19-24(26(20-34)22-8-3-1-4-9-22)18-33-16-13-25(14-17-33)35-21-32-27-12-7-15-31-29(27)35/h1,3-4,7-9,12,15,21,23-26,28H,2,5-6,10-11,13-14,16-20H2,(H,36,37)/t24-,26+,28+/m0/s1
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| InChIKey |
MYLXMKJPWQSBJE-DKRHUIDYSA-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