General Information of the Compound
| Compound ID |
CP0577327
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| Compound Name |
CHEMBL5197398
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| Formula |
C29H30FN5O3
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| Molecular Weight |
515.589
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| Canonical SMILES |
CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2F)c(=O)nc1-c1ccn(C)n1
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| InChI |
InChI=1S/C29H30FN5O3/c1-4-18-9-8-10-19(5-2)25(18)35-26(23-14-15-33(3)32-23)31-27(36)24(29(35)38)28(37)34-16-13-20(17-34)21-11-6-7-12-22(21)30/h6-12,14-15,20,38H,4-5,13,16-17H2,1-3H3/t20-/m0/s1
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| InChIKey |
DGVLFASAPIUBMI-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