General Information of the Compound
| Compound ID |
CP0874960
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| Compound Name |
(S)-5-(1-(3-amino-2-hydroxypropyl)-5-methyl-1H-pyrazol-3-yl)-2-chloro-N-((1-hydroxycycloheptyl)methyl)benzamide hydrochloride
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| Structure |
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| Formula |
C22H32Cl2N4O3
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| Molecular Weight |
471.429
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| Canonical SMILES |
Cc1cc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1C[C@@H](O)CN.Cl
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| InChI |
InChI=1S/C22H31ClN4O3.ClH/c1-15-10-20(26-27(15)13-17(28)12-24)16-6-7-19(23)18(11-16)21(29)25-14-22(30)8-4-2-3-5-9-22;/h6-7,10-11,17,28,30H,2-5,8-9,12-14,24H2,1H3,(H,25,29);1H/t17-;/m0./s1
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| InChIKey |
WABOPISTAPYJDC-LMOVPXPDSA-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