General Information of the Compound
| Compound ID |
CP0674151
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| Compound Name |
1-((2S,4S)-4-(4-(aminomethyl)-1H-1,2,3-triazol-1-yl)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl)-4-phenylbutan-1-one hydrochloride
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| Structure |
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| Formula |
C22H31ClN6O2
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| Molecular Weight |
446.983
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| Canonical SMILES |
Cl.NCc1cn([C@H]2C[C@@H](C(=O)N3CCCC3)N(C(=O)CCCc3ccccc3)C2)nn1
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| InChI |
InChI=1S/C22H30N6O2.ClH/c23-14-18-15-28(25-24-18)19-13-20(22(30)26-11-4-5-12-26)27(16-19)21(29)10-6-9-17-7-2-1-3-8-17;/h1-3,7-8,15,19-20H,4-6,9-14,16,23H2;1H/t19-,20-;/m0./s1
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| InChIKey |
CSLWILGCRZGZDE-FKLPMGAJSA-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