General Information of the Compound
| Compound ID |
CP0450144
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| Compound Name |
(2S)-2-[[4-[(2,4-diamino-5-prop-2-enyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-6-yl)methyl-prop-2-enylamino]benzoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C26H33N7O5
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| Molecular Weight |
523.594
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| Canonical SMILES |
Nc1nc(N)c2N(CC=C)C(CN(CC=C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2n1
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| InChI |
InChI=1S/C26H33N7O5/c1-3-13-32(15-18-9-10-19-22(33(18)14-4-2)23(27)31-26(28)30-19)17-7-5-16(6-8-17)24(36)29-20(25(37)38)11-12-21(34)35/h3-8,18,20H,1-2,9-15H2,(H,29,36)(H,34,35)(H,37,38)(H4,27,28,30,31)/t18?,20-/m0/s1
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| InChIKey |
JYTSGRLKDGDPGP-IJHRGXPZSA-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