General Information of the Compound
| Compound ID |
CP0897307
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| Compound Name |
US9216968, 149
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| Structure |
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| Formula |
C29H28ClF3N6O2
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| Molecular Weight |
585.03
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N3CC[C@H](N(C)C)C3)nc12
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| InChI |
InChI=1S/C29H28ClF3N6O2/c1-16-22(30)9-6-10-23(16)35-27(41)20-13-17(34-26(40)19-7-4-5-8-21(19)29(31,32)33)14-24-25(20)37-28(36-24)39-12-11-18(15-39)38(2)3/h4-10,13-14,18H,11-12,15H2,1-3H3,(H,34,40)(H,35,41)(H,36,37)/t18-/m0/s1
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| InChIKey |
CQDALDQAAWKPFH-SFHVURJKSA-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