General Information of the Compound
| Compound ID |
CP0507344
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| Compound Name |
(1S,2S,3R,4R)-3-[[5-chloro-2-[[(7R)-4-methoxy-7-(2-methoxyethylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
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| Structure |
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| Formula |
C27H35ClN6O3
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| Molecular Weight |
527.069
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| Canonical SMILES |
COCCN[C@@H]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CC1
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| InChI |
InChI=1S/C27H35ClN6O3/c1-36-12-11-30-18-7-5-15-6-10-21(24(37-2)19(15)9-8-18)32-27-31-14-20(28)26(34-27)33-23-17-4-3-16(13-17)22(23)25(29)35/h3-4,6,10,14,16-18,22-23,30H,5,7-9,11-13H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t16-,17+,18-,22+,23-/m1/s1
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| InChIKey |
QUTLMJQMDUXAPK-VTFRQLMYSA-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