General Information of the Compound
| Compound ID |
CP0499971
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| Compound Name |
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7S)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
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| Structure |
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| Formula |
C24H31ClFN5O
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| Molecular Weight |
459.997
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| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2[C@@H](F)C[C@@H](C)c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H31ClFN5O/c1-15(2)27-13-19(17-4-6-18(25)7-5-17)24(32)31-10-8-30(9-11-31)23-21-16(3)12-20(26)22(21)28-14-29-23/h4-7,14-16,19-20,27H,8-13H2,1-3H3/t16-,19-,20+/m1/s1
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| InChIKey |
IHENXLOGIPZEHH-AHRSYUTCSA-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