General Information of the Compound
| Compound ID |
CP0955280
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| Compound Name |
(S)-N-(1-(1H-tetrazol-5-ylamino)-1-oxo-5-(piperidin-1-yl)pentan-3-yl)-1-cyclopentyl-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C28H39N9O4
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| Molecular Weight |
565.679
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)Nc2nnn[nH]2)nn1C1CCCC1
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| InChI |
InChI=1S/C28H39N9O4/c1-40-23-11-8-12-24(41-2)26(23)22-18-21(33-37(22)20-9-4-5-10-20)27(39)29-19(13-16-36-14-6-3-7-15-36)17-25(38)30-28-31-34-35-32-28/h8,11-12,18-20H,3-7,9-10,13-17H2,1-2H3,(H,29,39)(H2,30,31,32,34,35,38)/t19-/m0/s1
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| InChIKey |
WAXFWSOAIMXGIZ-IBGZPJMESA-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