General Information of the Compound
| Compound ID |
CP0523398
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| Compound Name |
(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-7,7-difluoro-5-methyl-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
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| Structure |
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| Formula |
C24H30ClF2N5O
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| Molecular Weight |
477.987
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| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2c1[C@H](C)CC2(F)F)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H30ClF2N5O/c1-15(2)28-13-19(17-4-6-18(25)7-5-17)23(33)32-10-8-31(9-11-32)22-20-16(3)12-24(26,27)21(20)29-14-30-22/h4-7,14-16,19,28H,8-13H2,1-3H3/t16-,19-/m1/s1
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| InChIKey |
GYYWFOFPSXMXBV-VQIMIIECSA-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