General Information of the Compound
| Compound ID |
CP0523057
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| Compound Name |
(4S)-4-[[6-[2-(dimethylamino)ethylamino]-2-phenylpyrimidine-4-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C27H37N7O6
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| Molecular Weight |
555.636
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCN(C)C)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C27H37N7O6/c1-4-40-27(39)34-16-14-33(15-17-34)26(38)20(10-11-23(35)36)30-25(37)21-18-22(28-12-13-32(2)3)31-24(29-21)19-8-6-5-7-9-19/h5-9,18,20H,4,10-17H2,1-3H3,(H,30,37)(H,35,36)(H,28,29,31)/t20-/m0/s1
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| InChIKey |
XXZHKLXEQDBOTF-FQEVSTJZSA-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