General Information of the Compound
| Compound ID |
CP0196123
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| Compound Name |
[4-[(2-ethyltetrazol-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 |
C27H35N7O2
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| Molecular Weight |
489.624
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| Canonical SMILES |
CCn1nnc(CN2CCN(CC2)C(=O)c2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)n1
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| InChI |
InChI=1S/C27H35N7O2/c1-2-34-30-25(29-31-34)19-32-14-16-33(17-15-32)27(36)22-10-8-20(9-11-22)18-23-12-13-24(28-23)26(35)21-6-4-3-5-7-21/h3-11,23-24,26,28,35H,2,12-19H2,1H3/t23-,24+,26+/m0/s1
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| InChIKey |
YTJGHXTUOUBWHF-BFLUCZKCSA-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