General Information of the Compound
| Compound ID |
CP0227701
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| Compound Name |
[(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
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| Synonyms |
(S)-Morpholin-3-ylmethyl (4-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate
2252724U5N
714971-09-2
AC 480
AC-480
AC1480 (free base)
AC480
AC480 (BMS-599626)
AKOS015999853
ANW-54337
AOB5594
BCP9000428
BDBM50333373
BMS 599626
BMS-599626
BMS599626
C27H27FN8O3
C27H44O11
CHEMBL1645462
CS-0407
CTK8B6780
DTXSID60221714
EX-A2296
GTPL7647
J-502499
KS-000008GE
MolPort-023-279-418
PubChem22432
RL05125
SB21703
SCHEMBL12065349
SYN1142
UNII-2252724U5N
ZINC6717782
s1056
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| Structure |
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| Formula |
C27H27FN8O3
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| Molecular Weight |
530.564
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| Canonical SMILES |
Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
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| InChI |
InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1
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| InChIKey |
LUJZZYWHBDHDQX-QFIPXVFZSA-N
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| CAS |
714971-09-2
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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
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Protein ID: PT01159, Receptor tyrosine-protein kinase erbB-4
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000216 | NCI-N87 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 450 nM
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Clinical Information about the Compound