General Information of the Compound
| Compound ID |
CP0499743
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| Compound Name |
(2S)-2-[[3-bromo-4-[[2,4-diamino-5-(2,3-dibromopropyl)-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C23H28Br3N7O5
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| Molecular Weight |
722.233
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| Canonical SMILES |
Nc1nc(N)c2N(CC(Br)CBr)C(CNc3ccc(cc3Br)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2n1
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| InChI |
InChI=1S/C23H28Br3N7O5/c24-8-12(25)10-33-13(2-4-16-19(33)20(27)32-23(28)31-16)9-29-15-3-1-11(7-14(15)26)21(36)30-17(22(37)38)5-6-18(34)35/h1,3,7,12-13,17,29H,2,4-6,8-10H2,(H,30,36)(H,34,35)(H,37,38)(H4,27,28,31,32)/t12?,13?,17-/m0/s1
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| InChIKey |
VKLXJLRUYHRCLE-FVKWTLKZSA-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