General Information of the Compound
| Compound ID |
CP0894649
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| Compound Name |
2-[(S)-1-(4-chlorophenyl)-2-methylpropylamino]-6-(isoquinoline-3-carbonyl)-3-methoxy-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C28H28ClN5O3
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| Molecular Weight |
518.017
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| Canonical SMILES |
COn1c(N[C@H](c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1cc3ccccc3cn1)CC2
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| InChI |
InChI=1S/C28H28ClN5O3/c1-17(2)25(18-8-10-21(29)11-9-18)32-28-31-23-12-13-33(16-22(23)26(35)34(28)37-3)27(36)24-14-19-6-4-5-7-20(19)15-30-24/h4-11,14-15,17,25H,12-13,16H2,1-3H3,(H,31,32)/t25-/m0/s1
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| InChIKey |
BYPRTZBNLFRCBD-VWLOTQADSA-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