General Information of the Compound
| Compound ID |
CP0946609
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| Compound Name |
2-[(S)-1-(4-chlorophenyl)ethylamino]-3-methoxy-6-(thieno[2,3-b]pyridine-2-carbonyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one hydrochloride
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| Structure |
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| Formula |
C24H23Cl2N5O3S
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| Molecular Weight |
532.453
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| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)c1cc3cccnc3s1)CC2.Cl
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| InChI |
InChI=1S/C24H22ClN5O3S.ClH/c1-14(15-5-7-17(25)8-6-15)27-24-28-19-9-11-29(13-18(19)22(31)30(24)33-2)23(32)20-12-16-4-3-10-26-21(16)34-20;/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,27,28);1H/t14-;/m0./s1
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| InChIKey |
IBFKDDSFBSNCKP-UQKRIMTDSA-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