General Information of the Compound
| Compound ID |
CP0429090
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| Compound Name |
(4S)-4-[(6-anilino-2-phenylpyrimidine-4-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C29H32N6O6
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| Molecular Weight |
560.611
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(Nc2ccccc2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H32N6O6/c1-2-41-29(40)35-17-15-34(16-18-35)28(39)22(13-14-25(36)37)32-27(38)23-19-24(30-21-11-7-4-8-12-21)33-26(31-23)20-9-5-3-6-10-20/h3-12,19,22H,2,13-18H2,1H3,(H,32,38)(H,36,37)(H,30,31,33)/t22-/m0/s1
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| InChIKey |
ZBAYFWMDLXADHX-QFIPXVFZSA-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