General Information of the Compound
| Compound ID |
CP0579121
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| Compound Name |
CHEMBL5196215
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| Formula |
C26H29ClF2N6O2
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| Molecular Weight |
531.007
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| Canonical SMILES |
Cc1ccc2ccc(N[C@H]3CC[C@H](CNc4ncc(cn4)C(F)(F)C(=O)NC4COC4)CC3)nc2c1Cl
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| InChI |
InChI=1S/C26H29ClF2N6O2/c1-15-2-5-17-6-9-21(35-23(17)22(15)27)33-19-7-3-16(4-8-19)10-30-25-31-11-18(12-32-25)26(28,29)24(36)34-20-13-37-14-20/h2,5-6,9,11-12,16,19-20H,3-4,7-8,10,13-14H2,1H3,(H,33,35)(H,34,36)(H,30,31,32)/t16-,19-
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| InChIKey |
ZXFWVPTUESOISW-RUCARUNLSA-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