General Information of the Compound
| Compound ID |
CP0510624
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| Compound Name |
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
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| Structure |
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| Formula |
C30H35N5O9
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| Molecular Weight |
609.636
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| Canonical SMILES |
CN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N(C)[C@@H](CCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C30H35N5O9/c1-16-13-23-21(28(41)32-17(2)31-23)14-19(16)15-34(3)20-7-5-18(6-8-20)27(40)33-22(9-11-25(36)37)29(42)35(4)24(30(43)44)10-12-26(38)39/h5-8,13-14,22,24H,9-12,15H2,1-4H3,(H,33,40)(H,36,37)(H,38,39)(H,43,44)(H,31,32,41)/t22-,24-/m0/s1
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| InChIKey |
UDYGDMYKZKTEBC-UPVQGACJSA-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