General Information of the Compound
| Compound ID |
CP0559583
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| Compound Name |
N-[(3S)-5-(7-azabicyclo[2.2.1]heptan-7-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;hydrochloride
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| Formula |
C32H46ClN5O4
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| Molecular Weight |
600.204
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| Canonical SMILES |
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1C2CCC1CC2)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C32H45N5O4.ClH/c1-40-28-11-6-12-29(41-2)31(28)27-20-26(35-37(27)25-9-3-4-10-25)32(39)34-22(19-30(38)33-21-7-5-8-21)17-18-36-23-13-14-24(36)16-15-23;/h6,11-12,20-25H,3-5,7-10,13-19H2,1-2H3,(H,33,38)(H,34,39);1H/t22-,23?,24?;/m0./s1
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| InChIKey |
LGZRLWQLEIRFNL-ZKAKCLRBSA-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