General Information of the Compound
| Compound ID |
CP0543688
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| Compound Name |
CHEMBL5209268
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| Formula |
C28H32F2N6O4
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| Molecular Weight |
554.598
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@](C)(O)CC3)c2n1
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| InChI |
InChI=1S/C28H32F2N6O4/c1-14(15-3-4-15)35-13-17-11-16(12-20(40-27(29)30)21(17)26(35)38)19-7-10-36-24(33-19)22(23(31)34-36)25(37)32-18-5-8-28(2,39)9-6-18/h7,10-12,14-15,18,27,39H,3-6,8-9,13H2,1-2H3,(H2,31,34)(H,32,37)/t14-,18-,28+/m0/s1
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| InChIKey |
OUMVIVLVCKGULO-JWPZTYLUSA-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