General Information of the Compound
| Compound ID |
CP0571495
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| Compound Name |
US9206173, 2447
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| Structure |
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| Formula |
C29H29F3N4O2
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| Molecular Weight |
522.571
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| Canonical SMILES |
CC#CCn1c(N[C@@H](C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(C)c(C)c1
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| InChI |
InChI=1S/C29H29F3N4O2/c1-5-6-14-36-27(38)24-17-35(26(37)22-8-7-18(2)19(3)16-22)15-13-25(24)34-28(36)33-20(4)21-9-11-23(12-10-21)29(30,31)32/h7-12,16,20H,13-15,17H2,1-4H3,(H,33,34)/t20-/m0/s1
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| InChIKey |
HYAGGHWWMQKQAA-FQEVSTJZSA-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