General Information of the Compound
| Compound ID |
CP0546408
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| Compound Name |
1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-[(1-methylcyclopropyl)amino]-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C31H45N5O4
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| Molecular Weight |
551.732
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1(C)CC1
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| InChI |
InChI=1S/C31H45N5O4/c1-31(15-16-31)33-28(37)20-22(14-19-35-17-7-4-8-18-35)32-30(38)24-21-25(36(34-24)23-10-5-6-11-23)29-26(39-2)12-9-13-27(29)40-3/h9,12-13,21-23H,4-8,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)/t22-/m0/s1
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| InChIKey |
IJRMHTGZAVAGLH-QFIPXVFZSA-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