General Information of the Compound
| Compound ID |
CP0530002
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| Compound Name |
(4S)-5-(2-carboxypropan-2-ylamino)-4-[[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C29H31N5O7
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| Molecular Weight |
561.595
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| Canonical SMILES |
Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(C)(C)C(O)=O)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C29H31N5O7/c1-5-14-34(16-18-6-11-22-21(15-18)26(38)31-17(2)30-22)20-9-7-19(8-10-20)25(37)32-23(12-13-24(35)36)27(39)33-29(3,4)28(40)41/h1,6-11,15,23H,12-14,16H2,2-4H3,(H,32,37)(H,33,39)(H,35,36)(H,40,41)(H,30,31,38)/t23-/m0/s1
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| InChIKey |
YUAIKFXOTPNSNN-QHCPKHFHSA-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