General Information of the Compound
| Compound ID |
CP0552576
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-5-(2,6-dimethylpiperidin-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;hydrochloride
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| Formula |
C33H50ClN5O4
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| Molecular Weight |
616.247
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| Canonical SMILES |
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1C(C)CCCC1C)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C33H49N5O4.ClH/c1-22-10-7-11-23(2)37(22)19-18-25(20-31(39)34-24-12-8-13-24)35-33(40)27-21-28(38(36-27)26-14-5-6-15-26)32-29(41-3)16-9-17-30(32)42-4;/h9,16-17,21-26H,5-8,10-15,18-20H2,1-4H3,(H,34,39)(H,35,40);1H/t22?,23?,25-;/m0./s1
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| InChIKey |
FKVZEMJAYZZWHK-BZEMTXRQSA-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