General Information of the Compound
| Compound ID |
CP0959118
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| Compound Name |
(S)-(3-chloro-2-fluorophenyl)(3-(4-(5-methyl-1H-pyrazol-3-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamino)pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C24H29ClFN9O
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| Molecular Weight |
514.009
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| Canonical SMILES |
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(N[C@H]3CCN(C(=O)c4cccc(Cl)c4F)C3)n2)n[nH]1
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| InChI |
InChI=1S/C24H29ClFN9O/c1-15-12-20(32-31-15)28-19-13-21(34-10-8-33(2)9-11-34)30-24(29-19)27-16-6-7-35(14-16)23(36)17-4-3-5-18(25)22(17)26/h3-5,12-13,16H,6-11,14H2,1-2H3,(H3,27,28,29,30,31,32)/t16-/m0/s1
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| InChIKey |
BRZGHLZSVRDBHJ-INIZCTEOSA-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