General Information of the Compound
| Compound ID |
CP0946696
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| Compound Name |
(S)-N-(1-(2-(1H-tetrazol-5-yl)ethylamino)-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 |
C30H43N9O4
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| Molecular Weight |
593.733
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NCCc2nnn[nH]2)nn1C1CCCC1
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| InChI |
InChI=1S/C30H43N9O4/c1-42-25-11-8-12-26(43-2)29(25)24-20-23(35-39(24)22-9-4-5-10-22)30(41)32-21(14-18-38-16-6-3-7-17-38)19-28(40)31-15-13-27-33-36-37-34-27/h8,11-12,20-22H,3-7,9-10,13-19H2,1-2H3,(H,31,40)(H,32,41)(H,33,34,36,37)/t21-/m0/s1
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| InChIKey |
JVVFYCVTLHIGJD-NRFANRHFSA-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