General Information of the Compound
| Compound ID |
CP0579637
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| Compound Name |
CHEMBL5081453
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| Structure |
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| Formula |
C25H29ClFN5O2
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| Molecular Weight |
485.991
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| Canonical SMILES |
CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@@]3(CC[C@]4(C3)CCCCNC4=O)c2c1Cl
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| InChI |
InChI=1S/C25H29ClFN5O2/c1-32(2)22(33)17-16(28)6-5-14(20(17)27)15-11-30-21-18(19(15)26)25(13-31-21)9-8-24(12-25)7-3-4-10-29-23(24)34/h5-6,11H,3-4,7-10,12-13,28H2,1-2H3,(H,29,34)(H,30,31)/t24-,25-/m0/s1
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| InChIKey |
BQNOSQCCTRPINT-DQEYMECFSA-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