General Information of the Compound
| Compound ID |
CP0902282
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| Compound Name |
2-[(S)-1-(4-chlorophenyl)-2-methylpropylamino]-3-methoxy-6-(1-methyl-2-oxo-1,2,3,4-tetrahydro-quinoline-6-carbonyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C29H32ClN5O4
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| Molecular Weight |
550.059
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| Canonical SMILES |
COn1c(N[C@H](c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)CCC(=O)N3C)CC2
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| InChI |
InChI=1S/C29H32ClN5O4/c1-17(2)26(18-5-9-21(30)10-6-18)32-29-31-23-13-14-34(16-22(23)28(38)35(29)39-4)27(37)20-7-11-24-19(15-20)8-12-25(36)33(24)3/h5-7,9-11,15,17,26H,8,12-14,16H2,1-4H3,(H,31,32)/t26-/m0/s1
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| InChIKey |
QNUGGOIIAVMZKU-SANMLTNESA-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