General Information of the Compound
| Compound ID |
CP0441888
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| Compound Name |
(2S)-2-(4-chloro-3-fluorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(oxan-4-ylamino)propan-1-one
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| Structure |
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| Formula |
C26H33ClFN5O3
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| Molecular Weight |
518.033
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| Canonical SMILES |
C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNC3CCOCC3)c3ccc(Cl)c(F)c3)c12
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| InChI |
InChI=1S/C26H33ClFN5O3/c1-16-12-22(34)24-23(16)25(31-15-30-24)32-6-8-33(9-7-32)26(35)19(14-29-18-4-10-36-11-5-18)17-2-3-20(27)21(28)13-17/h2-3,13,15-16,18-19,22,29,34H,4-12,14H2,1H3/t16-,19-,22-/m1/s1
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| InChIKey |
PSNRYUGYGZTZSY-ZWDAVXSWSA-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