General Information of the Compound
| Compound ID |
CP0967433
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1S,2R)-2-hydroxycyclobutyl]urea
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| Formula |
C24H24F3N3O2
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| Molecular Weight |
443.469
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| Canonical SMILES |
O=C(NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N[C@H]1CC[C@H]1O
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| InChI |
InChI=1S/C24H24F3N3O2/c25-15-3-1-13(2-4-15)22-21(17-9-16(26)10-18(27)23(17)30-22)14-7-12(8-14)11-28-24(32)29-19-5-6-20(19)31/h1-4,9-10,12,14,19-20,30-31H,5-8,11H2,(H2,28,29,32)/t12-,14-,19-,20+/m0/s1
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| InChIKey |
QEVCLFNWVUCPTD-HIEMWTLHSA-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