General Information of the Compound
| Compound ID |
CP0346537
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| Compound Name |
3-[5-Chloro-4-(2-fluoro-6-methylcarbamoyl-phenylamino)-pyrimidin-2-ylamino]-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid 3-dimethylamino-propyl ester
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| Structure |
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| Formula |
C27H31ClFN7O4
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| Molecular Weight |
572.041
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| Canonical SMILES |
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3N(CCCOc3c2)C(=O)OCCCN(C)C)ncc1Cl
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| InChI |
InChI=1S/C27H31ClFN7O4/c1-30-25(37)18-7-4-8-20(29)23(18)33-24-19(28)16-31-26(34-24)32-17-9-10-21-22(15-17)39-13-6-12-36(21)27(38)40-14-5-11-35(2)3/h4,7-10,15-16H,5-6,11-14H2,1-3H3,(H,30,37)(H2,31,32,33,34)
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| InChIKey |
RXHZFWROLBERDL-UHFFFAOYSA-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