General Information of the Compound
| Compound ID |
CP0067909
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| Compound Name |
(2S)-2-amino-N-(2-{[7-({2-[(2S)-2-amino-3-hydroxypropanamido]ethyl}carbamoyl)-9,10-dioxo-9,10-dihydroanthracen-2-yl]formamido}ethyl)-3-hydroxypropanamide
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| Structure |
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| Formula |
C26H30N6O8
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| Molecular Weight |
554.56
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| Canonical SMILES |
N[C@@H](CO)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)CO
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| InChI |
InChI=1S/C26H30N6O8/c27-19(11-33)25(39)31-7-5-29-23(37)13-1-3-15-17(9-13)22(36)18-10-14(2-4-16(18)21(15)35)24(38)30-6-8-32-26(40)20(28)12-34/h1-4,9-10,19-20,33-34H,5-8,11-12,27-28H2,(H,29,37)(H,30,38)(H,31,39)(H,32,40)/t19-,20-/m0/s1
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| InChIKey |
QEHQUPFKVXNRDD-PMACEKPBSA-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