General Information of the Compound
| Compound ID |
CP0885836
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| Compound Name |
(R)-2-(3-(5-(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-ylcarbamoyl)-2-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carbonyl)azetidin-1-yl)acetic acid
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| Structure |
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| Formula |
C27H31FN4O5
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| Molecular Weight |
510.566
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| Canonical SMILES |
COc1ccc2c(n1)CCN(C(=O)C1CN(CC(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C
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| InChI |
InChI=1S/C27H31FN4O5/c1-27(2)8-6-15-10-17(11-19(28)23(15)27)29-25(35)24-18-4-5-21(37-3)30-20(18)7-9-32(24)26(36)16-12-31(13-16)14-22(33)34/h4-5,10-11,16,24H,6-9,12-14H2,1-3H3,(H,29,35)(H,33,34)/t24-/m1/s1
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| InChIKey |
AHDJUODOSVKKRA-XMMPIXPASA-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