General Information of the Compound
| Compound ID |
CP0960871
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| Compound Name |
(3-chloro-2-fluorophenyl)((S)-3-(4-((S)-3-(dimethylamino)pyrrolidin-1-yl)-6-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C25H31ClFN9O
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| Molecular Weight |
528.036
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| Canonical SMILES |
Cc1cc(Nc2cc(N3CC[C@H](N(C)C)C3)nc(N[C@H]3CCN(C(=O)c4cccc(Cl)c4F)C3)n2)n[nH]1
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| InChI |
InChI=1S/C25H31ClFN9O/c1-15-11-21(33-32-15)29-20-12-22(35-10-8-17(14-35)34(2)3)31-25(30-20)28-16-7-9-36(13-16)24(37)18-5-4-6-19(26)23(18)27/h4-6,11-12,16-17H,7-10,13-14H2,1-3H3,(H3,28,29,30,31,32,33)/t16-,17-/m0/s1
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| InChIKey |
RJKPTZNWRFCMEL-IRXDYDNUSA-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