General Information of the Compound
| Compound ID |
CP0092244
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| Compound Name |
[4-[[2-(cyclopropylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]methanone
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| Structure |
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| Formula |
C29H37N7O2
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| Molecular Weight |
515.662
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| Canonical SMILES |
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3nnn(CC4CC4)n3)CC2)N1)c1ccccc1
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| InChI |
InChI=1S/C29H37N7O2/c37-28(23-4-2-1-3-5-23)26-13-12-25(30-26)18-21-8-10-24(11-9-21)29(38)35-16-14-34(15-17-35)20-27-31-33-36(32-27)19-22-6-7-22/h1-5,8-11,22,25-26,28,30,37H,6-7,12-20H2/t25-,26+,28+/m0/s1
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| InChIKey |
FGGZSKMAUOZIQL-ZRRKCSAHSA-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